4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one

C11H13NO — CID 89336628

IUPAC4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)CC1C1=CC=CCC1
InChIInChI=1S/C11H13NO/c1-8-10(7-11(13)12-8)9-5-3-2-4-6-9/h2-3,5,10H,1,4,6-7H2,(H,12,13)
InChIKeyNPNRQVKSEPHUDQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.91
Rot. Bonds1

About 4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one

4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one (PubChem CID 89336628) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one
PubChem CID89336628
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)CC1C1=CC=CCC1
InChIInChI=1S/C11H13NO/c1-8-10(7-11(13)12-8)9-5-3-2-4-6-9/h2-3,5,10H,1,4,6-7H2,(H,12,13)
InChIKeyNPNRQVKSEPHUDQ-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one (CID 89336628) is 4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one is C=C1NC(=O)CC1C1=CC=CCC1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one?
The InChIKey is NPNRQVKSEPHUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-10(7-11(13)12-8)9-5-3-2-4-6-9/h2-3,5,10H,1,4,6-7H2,(H,12,13).
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one?
4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one has a molecular weight of 175.23 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 89336628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).