(2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one

C16H20N2O2 — CID 137217025

IUPAC(2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one
SMILESO=C1CCCC/C1=C\NCC/N=C/c1ccccc1O
InChIInChI=1S/C16H20N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1,3,5,7,11-12,18-19H,2,4,6,8-10H2/b14-12+,17-11+
InChIKeyINSWLQADSQCLBW-WYPLEBNESA-N
MW272.35 g/mol
LogP2.43
Rot. Bonds5

About (2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one

(2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one (PubChem CID 137217025) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one
PubChem CID137217025
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one
SMILESO=C1CCCC/C1=C\NCC/N=C/c1ccccc1O
InChIInChI=1S/C16H20N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1,3,5,7,11-12,18-19H,2,4,6,8-10H2/b14-12+,17-11+
InChIKeyINSWLQADSQCLBW-WYPLEBNESA-N
XLogP2.43
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one 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 (2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one?
The IUPAC name of (2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one (CID 137217025) is (2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one.
What is the SMILES notation for (2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one?
The canonical SMILES for (2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one is O=C1CCCC/C1=C\NCC/N=C/c1ccccc1O.
What is the InChIKey of (2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one?
The InChIKey is INSWLQADSQCLBW-WYPLEBNESA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1,3,5,7,11-12,18-19H,2,4,6,8-10H2/b14-12+,17-11+.
What are the key properties of (2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one?
(2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one has a molecular weight of 272.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[2-[(2-hydroxyphenyl)methylideneamino]ethylamino]methylidene]cyclohexan-1-one is sourced from PubChem (CID 137217025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).