(Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione

C11H12O2 — CID 11001591

IUPAC(Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione
SMILESCC(=O)/C=C\C(=O)C1C=CC=CC1
InChIInChI=1S/C11H12O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-5,7-8,10H,6H2,1H3/b8-7-
InChIKeyCANJWQGBPAJEKE-FPLPWBNLSA-N
MW176.21 g/mol
LogP1.83
Rot. Bonds3

About (Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione

(Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione (PubChem CID 11001591) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione.

Molecular Properties

Compound Name(Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione
PubChem CID11001591
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione
SMILESCC(=O)/C=C\C(=O)C1C=CC=CC1
InChIInChI=1S/C11H12O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-5,7-8,10H,6H2,1H3/b8-7-
InChIKeyCANJWQGBPAJEKE-FPLPWBNLSA-N
XLogP1.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

ethyl (1R)-cyclohexa-2,4-diene-1-carboxylate
CID 142951121
tris(cyclohexa-2,4-diene-1-carboxylate);iron(3+)
CID 175217418
acetic acid;cyclohexa-2,4-dien-1-ol
CID 139242866
3-cyclohexa-2,4-dien-1-yl-2-methyl-1-phenylbut-2-en-1-one
CID 151227666
(E)-hex-3-ene-2,5-dione
CID 5363639
5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene
CID 145302798
(E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one
CID 11986903
5-[(2E,4E)-4-iodohepta-2,4-dien-2-yl]cyclohexa-1,3-diene
CID 89170181
(Z)-1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbut-1-en-1-amine
CID 167073843
8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid
CID 142086755
(3S)-3-cyclohexa-2,4-dien-1-ylbutan-2-one
CID 143361819
N-cyclohexa-2,4-dien-1-ylhydroxylamine
CID 123806769

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione?
The IUPAC name of (Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione (CID 11001591) is (Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione.
What is the SMILES notation for (Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione?
The canonical SMILES for (Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione is CC(=O)/C=C\C(=O)C1C=CC=CC1.
What is the InChIKey of (Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione?
The InChIKey is CANJWQGBPAJEKE-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H12O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-5,7-8,10H,6H2,1H3/b8-7-.
What are the key properties of (Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione?
(Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione has a molecular weight of 176.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione is sourced from PubChem (CID 11001591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).