1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one

C17H24N2O — CID 43107337

IUPAC1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one
SMILESCC1CCCCC1Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C17H24N2O/c1-13-7-2-3-8-14(13)18-15-9-4-5-10-16(15)19-12-6-11-17(19)20/h4-5,9-10,13-14,18H,2-3,6-8,11-12H2,1H3
InChIKeyMNOMPEJUZRTDCS-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.80
Rot. Bonds3

About 1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one

1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one (PubChem CID 43107337) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one
PubChem CID43107337
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one
SMILESCC1CCCCC1Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C17H24N2O/c1-13-7-2-3-8-14(13)18-15-9-4-5-10-16(15)19-12-6-11-17(19)20/h4-5,9-10,13-14,18H,2-3,6-8,11-12H2,1H3
InChIKeyMNOMPEJUZRTDCS-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(oxan-4-ylamino)phenyl]pyrrolidin-2-one
CID 43608552
1-[2-(oxolan-3-ylamino)phenyl]pyrrolidin-2-one
CID 63331370
2-cyclopentyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51228887
2-[cyclopropyl-(4-methylcyclohexyl)amino]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55827499
N-[2-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 18166596
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 60675578
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
2-ethyl-N-(2-methylcyclohexyl)aniline
CID 43095688
2-(4-hydroxypiperidin-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41335965
4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9273089
1-[2-(benzylamino)phenyl]pyrrolidin-2-one
CID 28682033

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one (CID 43107337) is 1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one is CC1CCCCC1Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one?
The InChIKey is MNOMPEJUZRTDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-7-2-3-8-14(13)18-15-9-4-5-10-16(15)19-12-6-11-17(19)20/h4-5,9-10,13-14,18H,2-3,6-8,11-12H2,1H3.
What are the key properties of 1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one?
1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one has a molecular weight of 272.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylcyclohexyl)amino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43107337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).