(5E)-5-(1-benzyl-5-oxopyrrolidin-2-ylidene)-3-methylpyrrol-2-one

C16H16N2O2 — CID 10912522

IUPAC(5E)-5-(1-benzyl-5-oxopyrrolidin-2-ylidene)-3-methylpyrrol-2-one
SMILESCC1=C/C(=C2/CCC(=O)N2Cc2ccccc2)NC1=O
InChIInChI=1S/C16H16N2O2/c1-11-9-13(17-16(11)20)14-7-8-15(19)18(14)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,17,20)/b14-13+
InChIKeyKWKSXQLFRYUVEL-BUHFOSPRSA-N
MW268.32 g/mol
LogP2.10
Rot. Bonds2

About (5E)-5-(1-benzyl-5-oxopyrrolidin-2-ylidene)-3-methylpyrrol-2-one

(5E)-5-(1-benzyl-5-oxopyrrolidin-2-ylidene)-3-methylpyrrol-2-one (PubChem CID 10912522) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (5E)-5-(1-benzyl-5-oxopyrrolidin-2-ylidene)-3-methylpyrrol-2-one.

Molecular Properties

Compound Name(5E)-5-(1-benzyl-5-oxopyrrolidin-2-ylidene)-3-methylpyrrol-2-one
PubChem CID10912522
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(5E)-5-(1-benzyl-5-oxopyrrolidin-2-ylidene)-3-methylpyrrol-2-one
SMILESCC1=C/C(=C2/CCC(=O)N2Cc2ccccc2)NC1=O
InChIInChI=1S/C16H16N2O2/c1-11-9-13(17-16(11)20)14-7-8-15(19)18(14)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,17,20)/b14-13+
InChIKeyKWKSXQLFRYUVEL-BUHFOSPRSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
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N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
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CID 71660103
N-benzyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]ethanediamide
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N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(1-benzyl-5-oxopyrrolidin-2-ylidene)-3-methylpyrrol-2-one?
The IUPAC name of (5E)-5-(1-benzyl-5-oxopyrrolidin-2-ylidene)-3-methylpyrrol-2-one (CID 10912522) is (5E)-5-(1-benzyl-5-oxopyrrolidin-2-ylidene)-3-methylpyrrol-2-one.
What is the SMILES notation for (5E)-5-(1-benzyl-5-oxopyrrolidin-2-ylidene)-3-methylpyrrol-2-one?
The canonical SMILES for (5E)-5-(1-benzyl-5-oxopyrrolidin-2-ylidene)-3-methylpyrrol-2-one is CC1=C/C(=C2/CCC(=O)N2Cc2ccccc2)NC1=O.
What is the InChIKey of (5E)-5-(1-benzyl-5-oxopyrrolidin-2-ylidene)-3-methylpyrrol-2-one?
The InChIKey is KWKSXQLFRYUVEL-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-9-13(17-16(11)20)14-7-8-15(19)18(14)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,17,20)/b14-13+.
What are the key properties of (5E)-5-(1-benzyl-5-oxopyrrolidin-2-ylidene)-3-methylpyrrol-2-one?
(5E)-5-(1-benzyl-5-oxopyrrolidin-2-ylidene)-3-methylpyrrol-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(1-benzyl-5-oxopyrrolidin-2-ylidene)-3-methylpyrrol-2-one is sourced from PubChem (CID 10912522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).