5-methylidene-4-(4-methylphenyl)pyrrol-2-one

C12H11NO — CID 90329702

IUPAC5-methylidene-4-(4-methylphenyl)pyrrol-2-one
SMILESC=C1NC(=O)C=C1c1ccc(C)cc1
InChIInChI=1S/C12H11NO/c1-8-3-5-10(6-4-8)11-7-12(14)13-9(11)2/h3-7H,2H2,1H3,(H,13,14)
InChIKeyYSZWLEFVAJQHJS-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.02
Rot. Bonds1

About 5-methylidene-4-(4-methylphenyl)pyrrol-2-one

5-methylidene-4-(4-methylphenyl)pyrrol-2-one (PubChem CID 90329702) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 5-methylidene-4-(4-methylphenyl)pyrrol-2-one.

Molecular Properties

Compound Name5-methylidene-4-(4-methylphenyl)pyrrol-2-one
PubChem CID90329702
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name5-methylidene-4-(4-methylphenyl)pyrrol-2-one
SMILESC=C1NC(=O)C=C1c1ccc(C)cc1
InChIInChI=1S/C12H11NO/c1-8-3-5-10(6-4-8)11-7-12(14)13-9(11)2/h3-7H,2H2,1H3,(H,13,14)
InChIKeyYSZWLEFVAJQHJS-UHFFFAOYSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 270920
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CID 3238911
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CID 248803
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CID 145915
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CID 218214
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CID 5726276
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CID 5726165
CID 5726165

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-4-(4-methylphenyl)pyrrol-2-one?
The IUPAC name of 5-methylidene-4-(4-methylphenyl)pyrrol-2-one (CID 90329702) is 5-methylidene-4-(4-methylphenyl)pyrrol-2-one.
What is the SMILES notation for 5-methylidene-4-(4-methylphenyl)pyrrol-2-one?
The canonical SMILES for 5-methylidene-4-(4-methylphenyl)pyrrol-2-one is C=C1NC(=O)C=C1c1ccc(C)cc1.
What is the InChIKey of 5-methylidene-4-(4-methylphenyl)pyrrol-2-one?
The InChIKey is YSZWLEFVAJQHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-8-3-5-10(6-4-8)11-7-12(14)13-9(11)2/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of 5-methylidene-4-(4-methylphenyl)pyrrol-2-one?
5-methylidene-4-(4-methylphenyl)pyrrol-2-one has a molecular weight of 185.23 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-4-(4-methylphenyl)pyrrol-2-one is sourced from PubChem (CID 90329702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).