4-Methylindolin-2-one - CAS 13220-46-7

Catalog:	BB007558
Product Name:	4-Methylindolin-2-one
CAS:	13220-46-7
Synonyms:	4-methyl-1,3-dihydroindol-2-one; 4-methyl-1,3-dihydroindol-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4-methyl-1,3-dihydroindol-2-one
Description:	4-Methylindolin-2-one (CAS# 13220-46-7) is a useful research chemical.
Molecular Weight:	147.17
Molecular Formula:	C9H9NO
Canonical SMILES:	CC1=C2CC(=O)NC2=CC=C1
InChI:	InChI=1S/C9H9NO/c1-6-3-2-4-8-7(6)5-9(11)10-8/h2-4H,5H2,1H3,(H,10,11)
InChI Key:	USRZZPHRQZGXFH-UHFFFAOYSA-N
Boiling Point:	318.4 °C at 760 mmHg
Density:	1.155 g/cm³
Appearance:	Solid
Storage:	Sealed in dry, Room Temperature
LogP:	1.62760

Publication Number	Title	Priority Date
WO-2021031952-A1	Oxygen-substituted six-membered ring pyrimidine compound, preparation method and medical use thereof	20190816
WO-2020244613-A1	2, 4, 6-tri-substituted pyrimidine compound as atr kinase inhibitor	20190606
WO-2020221239-A1	Oxaazaquinazoline-7(8h)-ketone compound, preparation method therfor and pharmaceutical application thereof	20190428
WO-2019243841-A1	Novel compounds	20180622
US-2021032245-A1	Spirocyclic compounds	20180416

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Related Functional Groups

Indolines

[143262-20-8]
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[98660-18-5]
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1-Boc-5-aminoindoline
[885272-44-6]
1-Boc-7-aminoindoline
[13220-46-7]
4-Methylindolin-2-one

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Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.068413911
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.068413911
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1