3-(2,5-dimethylphenyl)-5-iminocyclohexan-1-one

C14H17NO — CID 57008532

IUPAC3-(2,5-dimethylphenyl)-5-iminocyclohexan-1-one
SMILES[H]/N=C1\CC(=O)CC(c2cc(C)ccc2C)C1
InChIInChI=1S/C14H17NO/c1-9-3-4-10(2)14(5-9)11-6-12(15)8-13(16)7-11/h3-5,11,15H,6-8H2,1-2H3/b15-12-
InChIKeyHSSBIGAQLDQOEL-QINSGFPZSA-N
MW215.30 g/mol
LogP3.16
Rot. Bonds1

About 3-(2,5-dimethylphenyl)-5-iminocyclohexan-1-one

3-(2,5-dimethylphenyl)-5-iminocyclohexan-1-one (PubChem CID 57008532) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-5-iminocyclohexan-1-one.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-5-iminocyclohexan-1-one
PubChem CID57008532
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(2,5-dimethylphenyl)-5-iminocyclohexan-1-one
SMILES[H]/N=C1\CC(=O)CC(c2cc(C)ccc2C)C1
InChIInChI=1S/C14H17NO/c1-9-3-4-10(2)14(5-9)11-6-12(15)8-13(16)7-11/h3-5,11,15H,6-8H2,1-2H3/b15-12-
InChIKeyHSSBIGAQLDQOEL-QINSGFPZSA-N
XLogP3.16
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-5-iminocyclohexan-1-one?
The IUPAC name of 3-(2,5-dimethylphenyl)-5-iminocyclohexan-1-one (CID 57008532) is 3-(2,5-dimethylphenyl)-5-iminocyclohexan-1-one.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-5-iminocyclohexan-1-one?
The canonical SMILES for 3-(2,5-dimethylphenyl)-5-iminocyclohexan-1-one is [H]/N=C1\CC(=O)CC(c2cc(C)ccc2C)C1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-5-iminocyclohexan-1-one?
The InChIKey is HSSBIGAQLDQOEL-QINSGFPZSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-3-4-10(2)14(5-9)11-6-12(15)8-13(16)7-11/h3-5,11,15H,6-8H2,1-2H3/b15-12-.
What are the key properties of 3-(2,5-dimethylphenyl)-5-iminocyclohexan-1-one?
3-(2,5-dimethylphenyl)-5-iminocyclohexan-1-one has a molecular weight of 215.30 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-5-iminocyclohexan-1-one is sourced from PubChem (CID 57008532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).