2-imino-1-(1-phenylcyclohexyl)ethanone

C14H17NO — CID 90858515

IUPAC2-imino-1-(1-phenylcyclohexyl)ethanone
SMILES[H]/N=C/C(=O)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C14H17NO/c15-11-13(16)14(9-5-2-6-10-14)12-7-3-1-4-8-12/h1,3-4,7-8,11,15H,2,5-6,9-10H2/b15-11+
InChIKeyXZEIJNUIUBABCH-RVDMUPIBSA-N
MW215.30 g/mol
LogP3.11
Rot. Bonds3

About 2-imino-1-(1-phenylcyclohexyl)ethanone

2-imino-1-(1-phenylcyclohexyl)ethanone (PubChem CID 90858515) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-imino-1-(1-phenylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-imino-1-(1-phenylcyclohexyl)ethanone
PubChem CID90858515
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-imino-1-(1-phenylcyclohexyl)ethanone
SMILES[H]/N=C/C(=O)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C14H17NO/c15-11-13(16)14(9-5-2-6-10-14)12-7-3-1-4-8-12/h1,3-4,7-8,11,15H,2,5-6,9-10H2/b15-11+
InChIKeyXZEIJNUIUBABCH-RVDMUPIBSA-N
XLogP3.11
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-imino-1-(1-phenylcyclohexyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-imino-1-(1-phenylcyclohexyl)ethanone?
The IUPAC name of 2-imino-1-(1-phenylcyclohexyl)ethanone (CID 90858515) is 2-imino-1-(1-phenylcyclohexyl)ethanone.
What is the SMILES notation for 2-imino-1-(1-phenylcyclohexyl)ethanone?
The canonical SMILES for 2-imino-1-(1-phenylcyclohexyl)ethanone is [H]/N=C/C(=O)C1(c2ccccc2)CCCCC1.
What is the InChIKey of 2-imino-1-(1-phenylcyclohexyl)ethanone?
The InChIKey is XZEIJNUIUBABCH-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H17NO/c15-11-13(16)14(9-5-2-6-10-14)12-7-3-1-4-8-12/h1,3-4,7-8,11,15H,2,5-6,9-10H2/b15-11+.
What are the key properties of 2-imino-1-(1-phenylcyclohexyl)ethanone?
2-imino-1-(1-phenylcyclohexyl)ethanone has a molecular weight of 215.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-(1-phenylcyclohexyl)ethanone is sourced from PubChem (CID 90858515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).