1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate

C8H9O- — CID 11987070

IUPAC1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate
SMILESCCC([O-])=C1C=CC=C1
InChIInChI=1S/C8H10O/c1-2-8(9)7-5-3-4-6-7/h3-6,9H,2H2,1H3/p-1
InChIKeyVUPCHIDDAOJSDA-UHFFFAOYSA-M
MW121.16 g/mol
LogP1.14
Rot. Bonds1

About 1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate

1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate (PubChem CID 11987070) has the molecular formula C8H9O- and a molecular weight of 121.16 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate
PubChem CID11987070
Molecular FormulaC8H9O-
Molecular Weight121.16 g/mol
Exact Mass121.07
IUPAC Name1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate
SMILESCCC([O-])=C1C=CC=C1
InChIInChI=1S/C8H10O/c1-2-8(9)7-5-3-4-6-7/h3-6,9H,2H2,1H3/p-1
InChIKeyVUPCHIDDAOJSDA-UHFFFAOYSA-M
XLogP1.14
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 51.14
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 1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate (CID 11987070) is 1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate is CCC([O-])=C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate?
The InChIKey is VUPCHIDDAOJSDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10O/c1-2-8(9)7-5-3-4-6-7/h3-6,9H,2H2,1H3/p-1.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate?
1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate has a molecular weight of 121.16 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylidenepropan-1-olate is sourced from PubChem (CID 11987070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).