1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide

C16H20N2O2 — CID 166256008

IUPAC1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C16H20N2O2/c19-15(17-10-12-6-7-12)14-8-9-18(16(14)20)11-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,17,19)
InChIKeyJQQRSZIHUAFUPB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.56
Rot. Bonds5

About 1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide

1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 166256008) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID166256008
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C16H20N2O2/c19-15(17-10-12-6-7-12)14-8-9-18(16(14)20)11-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,17,19)
InChIKeyJQQRSZIHUAFUPB-UHFFFAOYSA-N
XLogP1.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-2-oxo-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 154780666
1-benzyl-N-(cyclopropylmethyl)-2-oxoimidazolidine-4-carboxamide
CID 134795001
1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide
CID 5188811
N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide
CID 90983267
(3S)-1-benzyl-3-(3-methylbutanoyl)pyrrolidin-2-one
CID 67492991
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898464
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898459
2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977235

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide (CID 166256008) is 1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide is O=C(NCC1CC1)C1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is JQQRSZIHUAFUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15(17-10-12-6-7-12)14-8-9-18(16(14)20)11-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,17,19).
What are the key properties of 1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(cyclopropylmethyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166256008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).