1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one

C13H16N2O — CID 103438856

IUPAC1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(NC2CC2)c1
InChIInChI=1S/C13H16N2O/c16-13-5-2-8-15(13)12-4-1-3-11(9-12)14-10-6-7-10/h1,3-4,9-10,14H,2,5-8H2
InChIKeyRZLJCRAHWAOOOX-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.39
Rot. Bonds3

About 1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one

1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one (PubChem CID 103438856) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
PubChem CID103438856
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(NC2CC2)c1
InChIInChI=1S/C13H16N2O/c16-13-5-2-8-15(13)12-4-1-3-11(9-12)14-10-6-7-10/h1,3-4,9-10,14H,2,5-8H2
InChIKeyRZLJCRAHWAOOOX-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2-oxoazetidin-1-yl)anilino]cyclohexane-1-carboxylic acid
CID 122033690
1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one
CID 43362855
1-[3-[(2,3-dimethylcyclohexyl)amino]phenyl]pyrrolidin-2-one
CID 64775979
tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate
CID 113256308
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one
CID 70901098
3-[2,5-dioxo-3-[3-(2-oxopyrrolidin-1-yl)anilino]pyrrolidin-1-yl]benzoic acid
CID 47023260
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-[3-(cyclohex-3-en-1-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43205667
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692820

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one (CID 103438856) is 1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(NC2CC2)c1.
What is the InChIKey of 1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one?
The InChIKey is RZLJCRAHWAOOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13-5-2-8-15(13)12-4-1-3-11(9-12)14-10-6-7-10/h1,3-4,9-10,14H,2,5-8H2.
What are the key properties of 1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one?
1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 103438856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).