(Z)-4-cyclopenta-1,4-dien-1-yl-4-hydroxybut-3-en-2-one

C9H10O2 — CID 137309834

IUPAC(Z)-4-cyclopenta-1,4-dien-1-yl-4-hydroxybut-3-en-2-one
SMILESCC(=O)/C=C(\O)C1=CCC=C1
InChIInChI=1S/C9H10O2/c1-7(10)6-9(11)8-4-2-3-5-8/h2,4-6,11H,3H2,1H3/b9-6-
InChIKeyLGCRJEDYBOJPFO-TWGQIWQCSA-N
MW150.18 g/mol
LogP1.90
Rot. Bonds2

About (Z)-4-cyclopenta-1,4-dien-1-yl-4-hydroxybut-3-en-2-one

(Z)-4-cyclopenta-1,4-dien-1-yl-4-hydroxybut-3-en-2-one (PubChem CID 137309834) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (Z)-4-cyclopenta-1,4-dien-1-yl-4-hydroxybut-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-cyclopenta-1,4-dien-1-yl-4-hydroxybut-3-en-2-one
PubChem CID137309834
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(Z)-4-cyclopenta-1,4-dien-1-yl-4-hydroxybut-3-en-2-one
SMILESCC(=O)/C=C(\O)C1=CCC=C1
InChIInChI=1S/C9H10O2/c1-7(10)6-9(11)8-4-2-3-5-8/h2,4-6,11H,3H2,1H3/b9-6-
InChIKeyLGCRJEDYBOJPFO-TWGQIWQCSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[4-[(Z)-1-hydroxy-3-oxobut-1-enyl]cyclohexa-2,4-dien-1-yl] prop-2-enoate
CID 20812373
CID 160651771
CID 160651771
4-(5-chlorocyclohepta-1,4,6-trien-1-yl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
CID 162602228
(1Z,5Z)-cycloocta-1,5-diene;(E)-4-hydroxypent-3-en-2-one;rhodium
CID 53393474
(1Z,5Z)-cycloocta-1,5-diene;(E)-4-hydroxypent-3-en-2-one;iridium
CID 71310569
(Z)-4-hydroxy-4-(2,3,4,5,6-pentafluorophenyl)but-3-en-2-one
CID 12540839
di(cyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144664025
bis((E)-4-hydroxypent-3-en-2-one);bis(propan-2-ol);titanium
CID 172782621
N-(1-aminoethylidene)-5-tert-butyl-N'-[(E)-4-oxopent-2-en-2-yl]cyclohepta-1,4,6-triene-1-carboximidamide
CID 145194744
(Z)-4-hydroxy-4-(4-phenylphenyl)but-3-en-2-one
CID 15800409
4-hydroxy-4-[4-(1,2,2-triphenylethenyl)phenyl]but-3-en-2-one
CID 175049722
3-nitrocyclohepta-1,3,6-triene-1-carboxylic acid
CID 144923559

Frequently Asked Questions

What is the IUPAC name of (Z)-4-cyclopenta-1,4-dien-1-yl-4-hydroxybut-3-en-2-one?
The IUPAC name of (Z)-4-cyclopenta-1,4-dien-1-yl-4-hydroxybut-3-en-2-one (CID 137309834) is (Z)-4-cyclopenta-1,4-dien-1-yl-4-hydroxybut-3-en-2-one.
What is the SMILES notation for (Z)-4-cyclopenta-1,4-dien-1-yl-4-hydroxybut-3-en-2-one?
The canonical SMILES for (Z)-4-cyclopenta-1,4-dien-1-yl-4-hydroxybut-3-en-2-one is CC(=O)/C=C(\O)C1=CCC=C1.
What is the InChIKey of (Z)-4-cyclopenta-1,4-dien-1-yl-4-hydroxybut-3-en-2-one?
The InChIKey is LGCRJEDYBOJPFO-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H10O2/c1-7(10)6-9(11)8-4-2-3-5-8/h2,4-6,11H,3H2,1H3/b9-6-.
What are the key properties of (Z)-4-cyclopenta-1,4-dien-1-yl-4-hydroxybut-3-en-2-one?
(Z)-4-cyclopenta-1,4-dien-1-yl-4-hydroxybut-3-en-2-one has a molecular weight of 150.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-cyclopenta-1,4-dien-1-yl-4-hydroxybut-3-en-2-one is sourced from PubChem (CID 137309834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).