4-cyclohexa-2,4-dien-1-yl-1-methyl-2H-pyrrol-5-one

C11H13NO — CID 67764983

IUPAC4-cyclohexa-2,4-dien-1-yl-1-methyl-2H-pyrrol-5-one
SMILESCN1CC=C(C2C=CC=CC2)C1=O
InChIInChI=1S/C11H13NO/c1-12-8-7-10(11(12)13)9-5-3-2-4-6-9/h2-5,7,9H,6,8H2,1H3
InChIKeyOZEHYCDXVKBPDE-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.52
Rot. Bonds1

About 4-cyclohexa-2,4-dien-1-yl-1-methyl-2H-pyrrol-5-one

4-cyclohexa-2,4-dien-1-yl-1-methyl-2H-pyrrol-5-one (PubChem CID 67764983) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-yl-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-yl-1-methyl-2H-pyrrol-5-one
PubChem CID67764983
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-cyclohexa-2,4-dien-1-yl-1-methyl-2H-pyrrol-5-one
SMILESCN1CC=C(C2C=CC=CC2)C1=O
InChIInChI=1S/C11H13NO/c1-12-8-7-10(11(12)13)9-5-3-2-4-6-9/h2-5,7,9H,6,8H2,1H3
InChIKeyOZEHYCDXVKBPDE-UHFFFAOYSA-N
XLogP1.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-yl-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 4-cyclohexa-2,4-dien-1-yl-1-methyl-2H-pyrrol-5-one (CID 67764983) is 4-cyclohexa-2,4-dien-1-yl-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-yl-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-yl-1-methyl-2H-pyrrol-5-one is CN1CC=C(C2C=CC=CC2)C1=O.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-yl-1-methyl-2H-pyrrol-5-one?
The InChIKey is OZEHYCDXVKBPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-12-8-7-10(11(12)13)9-5-3-2-4-6-9/h2-5,7,9H,6,8H2,1H3.
What are the key properties of 4-cyclohexa-2,4-dien-1-yl-1-methyl-2H-pyrrol-5-one?
4-cyclohexa-2,4-dien-1-yl-1-methyl-2H-pyrrol-5-one has a molecular weight of 175.23 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-yl-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 67764983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).