(2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one

C15H18O — CID 68642758

IUPAC(2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one
SMILESCc1cccc(/C=C2/CCCCC2=O)c1C
InChIInChI=1S/C15H18O/c1-11-6-5-8-13(12(11)2)10-14-7-3-4-9-15(14)16/h5-6,8,10H,3-4,7,9H2,1-2H3/b14-10-
InChIKeyXJVDMZPHLVZICG-UVTDQMKNSA-N
MW214.31 g/mol
LogP3.83
Rot. Bonds1

About (2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one

(2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one (PubChem CID 68642758) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one
PubChem CID68642758
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one
SMILESCc1cccc(/C=C2/CCCCC2=O)c1C
InChIInChI=1S/C15H18O/c1-11-6-5-8-13(12(11)2)10-14-7-3-4-9-15(14)16/h5-6,8,10H,3-4,7,9H2,1-2H3/b14-10-
InChIKeyXJVDMZPHLVZICG-UVTDQMKNSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one?
The IUPAC name of (2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one (CID 68642758) is (2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one.
What is the SMILES notation for (2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one?
The canonical SMILES for (2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one is Cc1cccc(/C=C2/CCCCC2=O)c1C.
What is the InChIKey of (2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one?
The InChIKey is XJVDMZPHLVZICG-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H18O/c1-11-6-5-8-13(12(11)2)10-14-7-3-4-9-15(14)16/h5-6,8,10H,3-4,7,9H2,1-2H3/b14-10-.
What are the key properties of (2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one?
(2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one has a molecular weight of 214.31 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,3-dimethylphenyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 68642758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).