(3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one

C17H24N2O2 — CID 97333444

IUPAC(3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one
SMILESCC[C@@H](N[C@H]1CCN(C2CC2)C1=O)c1ccc(OC)cc1
InChIInChI=1S/C17H24N2O2/c1-3-15(12-4-8-14(21-2)9-5-12)18-16-10-11-19(17(16)20)13-6-7-13/h4-5,8-9,13,15-16,18H,3,6-7,10-11H2,1-2H3/t15-,16+/m1/s1
InChIKeyCWEDXECWOTZCKN-CVEARBPZSA-N
MW288.39 g/mol
LogP2.50
Rot. Bonds6

About (3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one

(3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one (PubChem CID 97333444) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one
PubChem CID97333444
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one
SMILESCC[C@@H](N[C@H]1CCN(C2CC2)C1=O)c1ccc(OC)cc1
InChIInChI=1S/C17H24N2O2/c1-3-15(12-4-8-14(21-2)9-5-12)18-16-10-11-19(17(16)20)13-6-7-13/h4-5,8-9,13,15-16,18H,3,6-7,10-11H2,1-2H3/t15-,16+/m1/s1
InChIKeyCWEDXECWOTZCKN-CVEARBPZSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[1-(4-methylphenyl)propylamino]pyrrolidin-2-one
CID 103902441
3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one
CID 103902437
(3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one
CID 96567992
(4S)-N-[(1S)-1-(4-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311059
N-[1-(4-methoxyphenyl)propyl]-1-propylpiperidin-4-amine
CID 43183002
N-[1-(4-methoxyphenyl)propyl]pyrrolidin-3-amine
CID 79730821
4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 87000052
N-[1-(4-methoxyphenyl)propyl]-1,3-dimethylpiperidin-4-amine
CID 115707061
N-[1-(4-methoxyphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 132649950
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]acetamide
CID 97248693
N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine
CID 43080624
N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine
CID 43785961

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one?
The IUPAC name of (3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one (CID 97333444) is (3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one is CC[C@@H](N[C@H]1CCN(C2CC2)C1=O)c1ccc(OC)cc1.
What is the InChIKey of (3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one?
The InChIKey is CWEDXECWOTZCKN-CVEARBPZSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-15(12-4-8-14(21-2)9-5-12)18-16-10-11-19(17(16)20)13-6-7-13/h4-5,8-9,13,15-16,18H,3,6-7,10-11H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of (3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one?
(3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-3-[[(1R)-1-(4-methoxyphenyl)propyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 97333444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).