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(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone

(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone - CAS 895152-66-6

Catalog:	BB043924
Product Name:	(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CAS:	895152-66-6
Synonyms:	SCHEMBL2079145; CTK8B6535; Tert-butyl 4-acetoxy-octahydroindole-1-carboxylate; Methanone, 1H-indol-3-yl(2,2,3,3-tetramethylcyclopropyl)-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1H-indol-3-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
Description:	(1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone (CAS# 895152-66-6 ) is a useful research chemical.
Molecular Weight:	241.32
Molecular Formula:	C16H19NO
Canonical SMILES:	CC1(C(C1(C)C)C(=O)C2=CNC3=CC=CC=C32)C
InChI:	InChI=1S/C16H19NO/c1-15(2)14(16(15,3)4)13(18)11-9-17-12-8-6-5-7-10(11)12/h5-9,14,17H,1-4H3
InChI Key:	WYZQBEQQQKCTHM-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[151585-93-2]
2-Amino-6-fluorobenzaldehyde

Indoles

[119910-45-1]
2-bromo-1H-indole-3-carbaldehyde
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[1375064-59-7]
Ethyl 3-Bromoindole-1-carboxylate
[61149-52-8]
Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate
[15861-24-2]
Indole-5-carbonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P264, P270, P273, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	357
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.14666423
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	241.14666423
Rotatable Bond Count:	2
Topological Polar Surface Area:	32.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2