1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one

C18H26N2O — CID 64775979

IUPAC1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one
SMILESCC1CCCC(Nc2cccc(N3CCCC3=O)c2)C1C
InChIInChI=1S/C18H26N2O/c1-13-6-3-9-17(14(13)2)19-15-7-4-8-16(12-15)20-11-5-10-18(20)21/h4,7-8,12-14,17,19H,3,5-6,9-11H2,1-2H3
InChIKeyRIENOXJOHHOZEL-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.05
Rot. Bonds3

About 1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one

1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one (PubChem CID 64775979) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one
PubChem CID64775979
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one
SMILESCC1CCCC(Nc2cccc(N3CCCC3=O)c2)C1C
InChIInChI=1S/C18H26N2O/c1-13-6-3-9-17(14(13)2)19-15-7-4-8-16(12-15)20-11-5-10-18(20)21/h4,7-8,12-14,17,19H,3,5-6,9-11H2,1-2H3
InChIKeyRIENOXJOHHOZEL-UHFFFAOYSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
CID 103438856
[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 11932534
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4063191
1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one
CID 43362855
tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate
CID 113256308
2-[methyl-(4-methylcyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51286691
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692820
1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917292

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one (CID 64775979) is 1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one is CC1CCCC(Nc2cccc(N3CCCC3=O)c2)C1C.
What is the InChIKey of 1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one?
The InChIKey is RIENOXJOHHOZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-6-3-9-17(14(13)2)19-15-7-4-8-16(12-15)20-11-5-10-18(20)21/h4,7-8,12-14,17,19H,3,5-6,9-11H2,1-2H3.
What are the key properties of 1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one?
1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one has a molecular weight of 286.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 64775979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).