4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one

C17H20N2O — CID 168658813

IUPAC4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one
SMILESCC(c1cccc2ccccc12)N1CC(CN)CC1=O
InChIInChI=1S/C17H20N2O/c1-12(19-11-13(10-18)9-17(19)20)15-8-4-6-14-5-2-3-7-16(14)15/h2-8,12-13H,9-11,18H2,1H3
InChIKeyFLPSSTXLUDUOFR-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.71
Rot. Bonds3

About 4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one

4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one (PubChem CID 168658813) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one
PubChem CID168658813
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one
SMILESCC(c1cccc2ccccc12)N1CC(CN)CC1=O
InChIInChI=1S/C17H20N2O/c1-12(19-11-13(10-18)9-17(19)20)15-8-4-6-14-5-2-3-7-16(14)15/h2-8,12-13H,9-11,18H2,1H3
InChIKeyFLPSSTXLUDUOFR-UHFFFAOYSA-N
XLogP2.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-naphthalen-1-ylethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669260
S-[[1-[(1S)-1-naphthalen-1-ylethyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666024
1-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-2-one
CID 162354731
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
1-[1-(2-methoxyphenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669244
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-(2-methylphenyl)acetic acid
CID 168658891
4-(aminomethyl)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168658795
4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one
CID 168659858
[1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672548
1-(1-naphthalen-1-ylethyl)azetidin-3-ol
CID 23381710
S-[[1-[1-(2-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168665917
(4S)-4-(bromomethyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 24813930

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one (CID 168658813) is 4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one is CC(c1cccc2ccccc12)N1CC(CN)CC1=O.
What is the InChIKey of 4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one?
The InChIKey is FLPSSTXLUDUOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12(19-11-13(10-18)9-17(19)20)15-8-4-6-14-5-2-3-7-16(14)15/h2-8,12-13H,9-11,18H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one has a molecular weight of 268.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 168658813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).