(5Z)-3-acetyl-5-benzylidenepyrrol-2-one

C13H11NO2 — CID 11252853

IUPAC(5Z)-3-acetyl-5-benzylidenepyrrol-2-one
SMILESCC(=O)C1=C/C(=C/c2ccccc2)NC1=O
InChIInChI=1S/C13H11NO2/c1-9(15)12-8-11(14-13(12)16)7-10-5-3-2-4-6-10/h2-8H,1H3,(H,14,16)/b11-7-
InChIKeyVMIKDIQXYWBCPL-XFFZJAGNSA-N
MW213.24 g/mol
LogP1.67
Rot. Bonds2

About (5Z)-3-acetyl-5-benzylidenepyrrol-2-one

(5Z)-3-acetyl-5-benzylidenepyrrol-2-one (PubChem CID 11252853) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is (5Z)-3-acetyl-5-benzylidenepyrrol-2-one.

Molecular Properties

Compound Name(5Z)-3-acetyl-5-benzylidenepyrrol-2-one
PubChem CID11252853
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name(5Z)-3-acetyl-5-benzylidenepyrrol-2-one
SMILESCC(=O)C1=C/C(=C/c2ccccc2)NC1=O
InChIInChI=1S/C13H11NO2/c1-9(15)12-8-11(14-13(12)16)7-10-5-3-2-4-6-10/h2-8H,1H3,(H,14,16)/b11-7-
InChIKeyVMIKDIQXYWBCPL-XFFZJAGNSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

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methyl (5E)-5-benzylidene-4-methoxy-2-oxopyrrole-3-carboxylate
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acetic acid;stilbene
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4-benzylidenepyrazolidine-3,5-dione
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(5E)-3-acetyl-5-benzylidene-4-hydroxyfuran-2-one
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3-benzylidene-4-methylidenepyrrolidine-2,5-dione
CID 88787558
3-benzoylpyrrole-2,5-dione
CID 154096189
3,4-dibenzylidene-1-methylpyrrolidine-2,5-dione
CID 54410030
(3Z,5Z)-1-acetyl-3,5-dibenzylidenepiperidin-4-one
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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-acetyl-5-benzylidenepyrrol-2-one?
The IUPAC name of (5Z)-3-acetyl-5-benzylidenepyrrol-2-one (CID 11252853) is (5Z)-3-acetyl-5-benzylidenepyrrol-2-one.
What is the SMILES notation for (5Z)-3-acetyl-5-benzylidenepyrrol-2-one?
The canonical SMILES for (5Z)-3-acetyl-5-benzylidenepyrrol-2-one is CC(=O)C1=C/C(=C/c2ccccc2)NC1=O.
What is the InChIKey of (5Z)-3-acetyl-5-benzylidenepyrrol-2-one?
The InChIKey is VMIKDIQXYWBCPL-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H11NO2/c1-9(15)12-8-11(14-13(12)16)7-10-5-3-2-4-6-10/h2-8H,1H3,(H,14,16)/b11-7-.
What are the key properties of (5Z)-3-acetyl-5-benzylidenepyrrol-2-one?
(5Z)-3-acetyl-5-benzylidenepyrrol-2-one has a molecular weight of 213.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-acetyl-5-benzylidenepyrrol-2-one is sourced from PubChem (CID 11252853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).