(2Z,6R)-2-(anilinomethylidene)-6-methylcyclohexan-1-one

C14H17NO — CID 124675292

IUPAC(2Z,6R)-2-(anilinomethylidene)-6-methylcyclohexan-1-one
SMILESC[C@@H]1CCC/C(=C/Nc2ccccc2)C1=O
InChIInChI=1S/C14H17NO/c1-11-6-5-7-12(14(11)16)10-15-13-8-3-2-4-9-13/h2-4,8-11,15H,5-7H2,1H3/b12-10-/t11-/m1/s1
InChIKeyNZQLWDQENFNLPU-JPQYHBGPSA-N
MW215.30 g/mol
LogP3.37
Rot. Bonds2

About (2Z,6R)-2-(anilinomethylidene)-6-methylcyclohexan-1-one

(2Z,6R)-2-(anilinomethylidene)-6-methylcyclohexan-1-one (PubChem CID 124675292) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (2Z,6R)-2-(anilinomethylidene)-6-methylcyclohexan-1-one.

Molecular Properties

Compound Name(2Z,6R)-2-(anilinomethylidene)-6-methylcyclohexan-1-one
PubChem CID124675292
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(2Z,6R)-2-(anilinomethylidene)-6-methylcyclohexan-1-one
SMILESC[C@@H]1CCC/C(=C/Nc2ccccc2)C1=O
InChIInChI=1S/C14H17NO/c1-11-6-5-7-12(14(11)16)10-15-13-8-3-2-4-9-13/h2-4,8-11,15H,5-7H2,1H3/b12-10-/t11-/m1/s1
InChIKeyNZQLWDQENFNLPU-JPQYHBGPSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,6R)-2-(anilinomethylidene)-6-methylcyclohexan-1-one?
The IUPAC name of (2Z,6R)-2-(anilinomethylidene)-6-methylcyclohexan-1-one (CID 124675292) is (2Z,6R)-2-(anilinomethylidene)-6-methylcyclohexan-1-one.
What is the SMILES notation for (2Z,6R)-2-(anilinomethylidene)-6-methylcyclohexan-1-one?
The canonical SMILES for (2Z,6R)-2-(anilinomethylidene)-6-methylcyclohexan-1-one is C[C@@H]1CCC/C(=C/Nc2ccccc2)C1=O.
What is the InChIKey of (2Z,6R)-2-(anilinomethylidene)-6-methylcyclohexan-1-one?
The InChIKey is NZQLWDQENFNLPU-JPQYHBGPSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-6-5-7-12(14(11)16)10-15-13-8-3-2-4-9-13/h2-4,8-11,15H,5-7H2,1H3/b12-10-/t11-/m1/s1.
What are the key properties of (2Z,6R)-2-(anilinomethylidene)-6-methylcyclohexan-1-one?
(2Z,6R)-2-(anilinomethylidene)-6-methylcyclohexan-1-one has a molecular weight of 215.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6R)-2-(anilinomethylidene)-6-methylcyclohexan-1-one is sourced from PubChem (CID 124675292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).