1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide

C17H18N2O2 — CID 168695684

IUPAC1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(c1ccc2ccccc2c1)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C17H18N2O2/c1-11(19-10-15(17(18)21)9-16(19)20)13-7-6-12-4-2-3-5-14(12)8-13/h2-8,11,15H,9-10H2,1H3,(H2,18,21)
InChIKeyANQIFXJXUCTKSV-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.23
Rot. Bonds3

About 1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide

1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168695684) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168695684
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(c1ccc2ccccc2c1)N1CC(C(N)=O)CC1=O
InChIInChI=1S/C17H18N2O2/c1-11(19-10-15(17(18)21)9-16(19)20)13-7-6-12-4-2-3-5-14(12)8-13/h2-8,11,15H,9-10H2,1H3,(H2,18,21)
InChIKeyANQIFXJXUCTKSV-UHFFFAOYSA-N
XLogP2.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-naphthalen-2-ylethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716593
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168695895
1-(2,2-dimethyl-1-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 168695593
1-[1-(3,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82123538
(3S)-1-[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9266561
(3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9266562
1-[1-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690179
(4R)-4-(cyclobutanecarbonyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 21087447
1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82124051
5-oxo-1-[1-(4-sulfanylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 144786464
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-methylphenyl)acetic acid
CID 168695788
(3,5-dimethylphenyl) (3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 9057026

Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 168695684) is 1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide is CC(c1ccc2ccccc2c1)N1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ANQIFXJXUCTKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11(19-10-15(17(18)21)9-16(19)20)13-7-6-12-4-2-3-5-14(12)8-13/h2-8,11,15H,9-10H2,1H3,(H2,18,21).
What are the key properties of 1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide?
1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168695684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).