(Z)-4-cyclopenta-2,4-dien-1-ylidenebut-2-en-2-olate

C9H9O- — CID 135039903

IUPAC(Z)-4-cyclopenta-2,4-dien-1-ylidenebut-2-en-2-olate
SMILESC/C([O-])=C/C=C1C=CC=C1
InChIInChI=1S/C9H10O/c1-8(10)6-7-9-4-2-3-5-9/h2-7,10H,1H3/p-1/b8-6-
InChIKeyDEFXFBBJSPEQJY-VURMDHGXSA-M
MW133.17 g/mol
LogP1.30
Rot. Bonds1

About (Z)-4-cyclopenta-2,4-dien-1-ylidenebut-2-en-2-olate

(Z)-4-cyclopenta-2,4-dien-1-ylidenebut-2-en-2-olate (PubChem CID 135039903) has the molecular formula C9H9O- and a molecular weight of 133.17 g/mol. Its IUPAC name is (Z)-4-cyclopenta-2,4-dien-1-ylidenebut-2-en-2-olate.

Molecular Properties

Compound Name(Z)-4-cyclopenta-2,4-dien-1-ylidenebut-2-en-2-olate
PubChem CID135039903
Molecular FormulaC9H9O-
Molecular Weight133.17 g/mol
Exact Mass133.07
IUPAC Name(Z)-4-cyclopenta-2,4-dien-1-ylidenebut-2-en-2-olate
SMILESC/C([O-])=C/C=C1C=CC=C1
InChIInChI=1S/C9H10O/c1-8(10)6-7-9-4-2-3-5-9/h2-7,10H,1H3/p-1/b8-6-
InChIKeyDEFXFBBJSPEQJY-VURMDHGXSA-M
XLogP1.30
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-cyclopenta-2,4-dien-1-ylidenebut-2-en-2-olate?
The IUPAC name of (Z)-4-cyclopenta-2,4-dien-1-ylidenebut-2-en-2-olate (CID 135039903) is (Z)-4-cyclopenta-2,4-dien-1-ylidenebut-2-en-2-olate.
What is the SMILES notation for (Z)-4-cyclopenta-2,4-dien-1-ylidenebut-2-en-2-olate?
The canonical SMILES for (Z)-4-cyclopenta-2,4-dien-1-ylidenebut-2-en-2-olate is C/C([O-])=C/C=C1C=CC=C1.
What is the InChIKey of (Z)-4-cyclopenta-2,4-dien-1-ylidenebut-2-en-2-olate?
The InChIKey is DEFXFBBJSPEQJY-VURMDHGXSA-M. The full InChI is InChI=1S/C9H10O/c1-8(10)6-7-9-4-2-3-5-9/h2-7,10H,1H3/p-1/b8-6-.
What are the key properties of (Z)-4-cyclopenta-2,4-dien-1-ylidenebut-2-en-2-olate?
(Z)-4-cyclopenta-2,4-dien-1-ylidenebut-2-en-2-olate has a molecular weight of 133.17 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-cyclopenta-2,4-dien-1-ylidenebut-2-en-2-olate is sourced from PubChem (CID 135039903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).