(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one

C19H32N2O2 — CID 99805761

IUPAC(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
SMILESCC1CCC(N2C[C@@H](C(=O)N3CCCCCCC3)CC2=O)CC1
InChIInChI=1S/C19H32N2O2/c1-15-7-9-17(10-8-15)21-14-16(13-18(21)22)19(23)20-11-5-3-2-4-6-12-20/h15-17H,2-14H2,1H3/t15?,16-,17?/m0/s1
InChIKeyAYKVLWRZSJBGOZ-CGZBRXJRSA-N
MW320.48 g/mol
LogP3.21
Rot. Bonds2

About (4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one

(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one (PubChem CID 99805761) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
PubChem CID99805761
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
SMILESCC1CCC(N2C[C@@H](C(=O)N3CCCCCCC3)CC2=O)CC1
InChIInChI=1S/C19H32N2O2/c1-15-7-9-17(10-8-15)21-14-16(13-18(21)22)19(23)20-11-5-3-2-4-6-12-20/h15-17H,2-14H2,1H3/t15?,16-,17?/m0/s1
InChIKeyAYKVLWRZSJBGOZ-CGZBRXJRSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119373158
(3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124682709
4-(3-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119377515
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
(2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 125153354
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119635263
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
(4R)-1-cyclopentyl-4-[(4R)-4-propylazepane-1-carbonyl]pyrrolidin-2-one
CID 94878414
1-cyclopentyl-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 86890881

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one (CID 99805761) is (4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one is CC1CCC(N2C[C@@H](C(=O)N3CCCCCCC3)CC2=O)CC1.
What is the InChIKey of (4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one?
The InChIKey is AYKVLWRZSJBGOZ-CGZBRXJRSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-15-7-9-17(10-8-15)21-14-16(13-18(21)22)19(23)20-11-5-3-2-4-6-12-20/h15-17H,2-14H2,1H3/t15?,16-,17?/m0/s1.
What are the key properties of (4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one?
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one has a molecular weight of 320.48 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 99805761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).