(cyclohexylideneamino) 3-hydroxybenzoate

C13H15NO3 — CID 71600482

IUPAC(cyclohexylideneamino) 3-hydroxybenzoate
SMILESO=C(ON=C1CCCCC1)c1cccc(O)c1
InChIInChI=1S/C13H15NO3/c15-12-8-4-5-10(9-12)13(16)17-14-11-6-2-1-3-7-11/h4-5,8-9,15H,1-3,6-7H2
InChIKeyBVMALNZXVNWUJH-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.87
Rot. Bonds2

About (cyclohexylideneamino) 3-hydroxybenzoate

(cyclohexylideneamino) 3-hydroxybenzoate (PubChem CID 71600482) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (cyclohexylideneamino) 3-hydroxybenzoate.

Molecular Properties

Compound Name(cyclohexylideneamino) 3-hydroxybenzoate
PubChem CID71600482
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(cyclohexylideneamino) 3-hydroxybenzoate
SMILESO=C(ON=C1CCCCC1)c1cccc(O)c1
InChIInChI=1S/C13H15NO3/c15-12-8-4-5-10(9-12)13(16)17-14-11-6-2-1-3-7-11/h4-5,8-9,15H,1-3,6-7H2
InChIKeyBVMALNZXVNWUJH-UHFFFAOYSA-N
XLogP2.87
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (cyclohexylideneamino) 3-hydroxybenzoate 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 (cyclohexylideneamino) 3-hydroxybenzoate?
The IUPAC name of (cyclohexylideneamino) 3-hydroxybenzoate (CID 71600482) is (cyclohexylideneamino) 3-hydroxybenzoate.
What is the SMILES notation for (cyclohexylideneamino) 3-hydroxybenzoate?
The canonical SMILES for (cyclohexylideneamino) 3-hydroxybenzoate is O=C(ON=C1CCCCC1)c1cccc(O)c1.
What is the InChIKey of (cyclohexylideneamino) 3-hydroxybenzoate?
The InChIKey is BVMALNZXVNWUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12-8-4-5-10(9-12)13(16)17-14-11-6-2-1-3-7-11/h4-5,8-9,15H,1-3,6-7H2.
What are the key properties of (cyclohexylideneamino) 3-hydroxybenzoate?
(cyclohexylideneamino) 3-hydroxybenzoate has a molecular weight of 233.27 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylideneamino) 3-hydroxybenzoate is sourced from PubChem (CID 71600482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).