2-(oxomethylidene)cyclohexan-1-one

C7H8O2 — CID 14897183

IUPAC2-(oxomethylidene)cyclohexan-1-one
SMILESO=C=C1CCCCC1=O
InChIInChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4H2
InChIKeySEUKEBAXTROKKZ-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.89
Rot. Bonds

About 2-(oxomethylidene)cyclohexan-1-one

2-(oxomethylidene)cyclohexan-1-one (PubChem CID 14897183) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-(oxomethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name2-(oxomethylidene)cyclohexan-1-one
PubChem CID14897183
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name2-(oxomethylidene)cyclohexan-1-one
SMILESO=C=C1CCCCC1=O
InChIInChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4H2
InChIKeySEUKEBAXTROKKZ-UHFFFAOYSA-N
XLogP0.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxomethylidene)cyclohexan-1-one?
The IUPAC name of 2-(oxomethylidene)cyclohexan-1-one (CID 14897183) is 2-(oxomethylidene)cyclohexan-1-one.
What is the SMILES notation for 2-(oxomethylidene)cyclohexan-1-one?
The canonical SMILES for 2-(oxomethylidene)cyclohexan-1-one is O=C=C1CCCCC1=O.
What is the InChIKey of 2-(oxomethylidene)cyclohexan-1-one?
The InChIKey is SEUKEBAXTROKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4H2.
What are the key properties of 2-(oxomethylidene)cyclohexan-1-one?
2-(oxomethylidene)cyclohexan-1-one has a molecular weight of 124.14 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxomethylidene)cyclohexan-1-one is sourced from PubChem (CID 14897183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).