5-benzylidene-1-butyl-4-methylpyrrol-2-one

C16H19NO — CID 155934046

IUPAC5-benzylidene-1-butyl-4-methylpyrrol-2-one
SMILESCCCCN1C(=O)C=C(C)C1=Cc1ccccc1
InChIInChI=1S/C16H19NO/c1-3-4-10-17-15(13(2)11-16(17)18)12-14-8-6-5-7-9-14/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyXKMFEYKYVDHANC-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.62
Rot. Bonds4

About 5-benzylidene-1-butyl-4-methylpyrrol-2-one

5-benzylidene-1-butyl-4-methylpyrrol-2-one (PubChem CID 155934046) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-benzylidene-1-butyl-4-methylpyrrol-2-one.

Molecular Properties

Compound Name5-benzylidene-1-butyl-4-methylpyrrol-2-one
PubChem CID155934046
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name5-benzylidene-1-butyl-4-methylpyrrol-2-one
SMILESCCCCN1C(=O)C=C(C)C1=Cc1ccccc1
InChIInChI=1S/C16H19NO/c1-3-4-10-17-15(13(2)11-16(17)18)12-14-8-6-5-7-9-14/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyXKMFEYKYVDHANC-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3Z)-2-butyl-3-[(4-ethynylphenyl)methylidene]isoindol-1-one
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5-benzylidene-1-(2-ethylhexyl)imidazolidine-2,4-dione
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3-methyl-1-[(Z)-octadec-9-enyl]pyrrole-2,5-dione
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(2E)-6-amino-2-benzylidene-4-butyl-1,4-benzoxazin-3-one
CID 28863048
(2Z)-2-benzylidene-4-octadecyl-1,4-benzothiazin-3-one
CID 139050499
(5Z)-1-butyl-5-(phenylselanylmethylidene)pyrrol-2-one
CID 10518710
4-benzyl-1-butylpiperazine-2,6-dione
CID 58822020
5-benzylidene-1,3-dimethylimidazolidine-2,4-dione
CID 71360236
(5Z)-5-benzylidene-3-hexadecyl-2-phenylimino-1,3-thiazolidin-4-one
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1-butylpyrrole-2,5-dione;silane
CID 160820729

Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-1-butyl-4-methylpyrrol-2-one?
The IUPAC name of 5-benzylidene-1-butyl-4-methylpyrrol-2-one (CID 155934046) is 5-benzylidene-1-butyl-4-methylpyrrol-2-one.
What is the SMILES notation for 5-benzylidene-1-butyl-4-methylpyrrol-2-one?
The canonical SMILES for 5-benzylidene-1-butyl-4-methylpyrrol-2-one is CCCCN1C(=O)C=C(C)C1=Cc1ccccc1.
What is the InChIKey of 5-benzylidene-1-butyl-4-methylpyrrol-2-one?
The InChIKey is XKMFEYKYVDHANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-4-10-17-15(13(2)11-16(17)18)12-14-8-6-5-7-9-14/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of 5-benzylidene-1-butyl-4-methylpyrrol-2-one?
5-benzylidene-1-butyl-4-methylpyrrol-2-one has a molecular weight of 241.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-1-butyl-4-methylpyrrol-2-one is sourced from PubChem (CID 155934046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).