6-Methylpiperidin-2-one - CAS 4775-98-8

Catalog:	BB026388
Product Name:	6-Methylpiperidin-2-one
CAS:	4775-98-8
Synonyms:	6-methyl-2-piperidinone; 6-methylpiperidin-2-one

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Computed Properties

IUPAC Name:	6-methylpiperidin-2-one
Description:	Cis-D,L-dihydropinidine (I; R = Pr) was prepared from 6-Methylpiperidin-2-one by sequential treatment with PrCOCl/pyridine at room temperature.
Molecular Weight:	113.16
Molecular Formula:	C6H11NO
Canonical SMILES:	CC1CCCC(=O)N1
InChI:	InChI=1S/C6H11NO/c1-5-3-2-4-6(8)7-5/h5H,2-4H2,1H3,(H,7,8)
InChI Key:	XPMMAKUHNMSONL-UHFFFAOYSA-N
Boiling Point:	254 °C at 760 mmHg
Density:	0.951 g/cm³
LogP:	0.95090

Publication Number	Title	Priority Date
CN-113335753-A	High-barrier non-straw type packaging cup	20210610
CN-212710458-U	High-barrier injection molding cup	20200515
CN-213382913-U	Nylon production equipment capable of effectively cooling	20200407
JP-2021098692-A	Compounds that are active against nuclear receptors	20191220
US-2021188828-A1	Compounds active towards nuclear receptors	20191220

PMID	Publication Date	Title	Journal
20531487	20100301	[Synthesis and anti-inflammatory activity of quinopimaric acid derivatives]	Bioorganicheskaia khimiia

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.084063974
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.084063974
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4