N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide

C16H20N2O2 — CID 16919256

IUPACN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CC(=O)N(Cc2ccccc2)C1)C1CC1
InChIInChI=1S/C16H20N2O2/c19-15-8-13(9-17-16(20)14-6-7-14)11-18(15)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,20)
InChIKeyJBACTORQSCQBAE-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.56
Rot. Bonds5

About N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide (PubChem CID 16919256) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
PubChem CID16919256
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CC(=O)N(Cc2ccccc2)C1)C1CC1
InChIInChI=1S/C16H20N2O2/c19-15-8-13(9-17-16(20)14-6-7-14)11-18(15)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,20)
InChIKeyJBACTORQSCQBAE-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

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Related Compounds

N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898464
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898459
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
9-amino-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120993634
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 16919409
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 139022011
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16919255
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea
CID 3025488
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16919321
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide (CID 16919256) is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide is O=C(NCC1CC(=O)N(Cc2ccccc2)C1)C1CC1.
What is the InChIKey of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide?
The InChIKey is JBACTORQSCQBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15-8-13(9-17-16(20)14-6-7-14)11-18(15)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,17,20).
What are the key properties of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide?
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide 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 N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 16919256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).