(E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one

C9H10O — CID 11986903

IUPAC(E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one
SMILESCC(=O)/C=C/C1C=CC=C1
InChIInChI=1S/C9H10O/c1-8(10)6-7-9-4-2-3-5-9/h2-7,9H,1H3/b7-6+
InChIKeyYMCQSWVTMSBMMX-VOTSOKGWSA-N
MW134.18 g/mol
LogP1.87
Rot. Bonds2

About (E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one

(E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one (PubChem CID 11986903) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is (E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one.

Molecular Properties

Compound Name(E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one
PubChem CID11986903
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name(E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one
SMILESCC(=O)/C=C/C1C=CC=C1
InChIInChI=1S/C9H10O/c1-8(10)6-7-9-4-2-3-5-9/h2-7,9H,1H3/b7-6+
InChIKeyYMCQSWVTMSBMMX-VOTSOKGWSA-N
XLogP1.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-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

Related Compounds

(E)-hex-3-ene-2,5-dione
CID 5363639
4-(2,6,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one
CID 156791196
(Z)-1-cyclohexa-2,4-dien-1-ylpent-2-ene-1,4-dione
CID 11001591
4-(2,2,3,6-tetramethylcyclohex-3-en-1-yl)but-3-en-2-one
CID 57129952
(E)-3-cyclopenta-2,4-dien-1-yl-1-pyridin-2-ylprop-2-en-1-one
CID 102284803
(E)-4-(5-hydroxy-2-methyl-1,3-dioxan-4-yl)but-3-en-2-one
CID 130142214
bis(1-cyclopenta-2,4-dien-1-ylethanone);iron
CID 176507815
(E)-4-[(1R,2R,3R)-2-acetyl-3-methylcyclopropyl]but-3-en-2-one
CID 131239626
(2E,4E)-5-cyclopenta-2,4-dien-1-ylpenta-2,4-dienal
CID 15875754
(E)-4-(4,4-dimethylcyclohexyl)but-3-en-2-one
CID 130596270
cis-(1R,3R)-2,2-dimethyl-3-(3-oxobut-1-enyl)cyclopropane-1-carboxylic acid
CID 57004186
(E)-4-[6-[(E)-3-oxobut-1-enyl]cyclohepta-1,3,5-trien-1-yl]but-3-en-2-one
CID 10105174

Frequently Asked Questions

What is the IUPAC name of (E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one?
The IUPAC name of (E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one (CID 11986903) is (E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one.
What is the SMILES notation for (E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one?
The canonical SMILES for (E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one is CC(=O)/C=C/C1C=CC=C1.
What is the InChIKey of (E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one?
The InChIKey is YMCQSWVTMSBMMX-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H10O/c1-8(10)6-7-9-4-2-3-5-9/h2-7,9H,1H3/b7-6+.
What are the key properties of (E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one?
(E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one has a molecular weight of 134.18 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-cyclopenta-2,4-dien-1-ylbut-3-en-2-one is sourced from PubChem (CID 11986903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).