(5Z)-2-ethenyl-5-ethylidene-3,4-dioxocyclopenten-1-olate

C9H7O3- — CID 59037829

IUPAC(5Z)-2-ethenyl-5-ethylidene-3,4-dioxocyclopenten-1-olate
SMILESC=CC1=C([O-])/C(=C/C)C(=O)C1=O
InChIInChI=1S/C9H8O3/c1-3-5-7(10)6(4-2)9(12)8(5)11/h3-4,10H,1H2,2H3/p-1/b6-4-
InChIKeyKAORJTYPFASTSR-XQRVVYSFSA-M
MW163.15 g/mol
LogP-0.12
Rot. Bonds1

About (5Z)-2-ethenyl-5-ethylidene-3,4-dioxocyclopenten-1-olate

(5Z)-2-ethenyl-5-ethylidene-3,4-dioxocyclopenten-1-olate (PubChem CID 59037829) has the molecular formula C9H7O3- and a molecular weight of 163.15 g/mol. Its IUPAC name is (5Z)-2-ethenyl-5-ethylidene-3,4-dioxocyclopenten-1-olate.

Molecular Properties

Compound Name(5Z)-2-ethenyl-5-ethylidene-3,4-dioxocyclopenten-1-olate
PubChem CID59037829
Molecular FormulaC9H7O3-
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name(5Z)-2-ethenyl-5-ethylidene-3,4-dioxocyclopenten-1-olate
SMILESC=CC1=C([O-])/C(=C/C)C(=O)C1=O
InChIInChI=1S/C9H8O3/c1-3-5-7(10)6(4-2)9(12)8(5)11/h3-4,10H,1H2,2H3/p-1/b6-4-
InChIKeyKAORJTYPFASTSR-XQRVVYSFSA-M
XLogP-0.12
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-ethenyl-5-ethylidene-3,4-dioxocyclopenten-1-olate?
The IUPAC name of (5Z)-2-ethenyl-5-ethylidene-3,4-dioxocyclopenten-1-olate (CID 59037829) is (5Z)-2-ethenyl-5-ethylidene-3,4-dioxocyclopenten-1-olate.
What is the SMILES notation for (5Z)-2-ethenyl-5-ethylidene-3,4-dioxocyclopenten-1-olate?
The canonical SMILES for (5Z)-2-ethenyl-5-ethylidene-3,4-dioxocyclopenten-1-olate is C=CC1=C([O-])/C(=C/C)C(=O)C1=O.
What is the InChIKey of (5Z)-2-ethenyl-5-ethylidene-3,4-dioxocyclopenten-1-olate?
The InChIKey is KAORJTYPFASTSR-XQRVVYSFSA-M. The full InChI is InChI=1S/C9H8O3/c1-3-5-7(10)6(4-2)9(12)8(5)11/h3-4,10H,1H2,2H3/p-1/b6-4-.
What are the key properties of (5Z)-2-ethenyl-5-ethylidene-3,4-dioxocyclopenten-1-olate?
(5Z)-2-ethenyl-5-ethylidene-3,4-dioxocyclopenten-1-olate has a molecular weight of 163.15 g/mol, XLogP of -0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-ethenyl-5-ethylidene-3,4-dioxocyclopenten-1-olate is sourced from PubChem (CID 59037829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).