N-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid

C10H16ClNO3 — CID 159978031

IUPACN-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid
SMILESO=C(O)C1CC1.ON=C1CCCCC1Cl
InChIInChI=1S/C6H10ClNO.C4H6O2/c7-5-3-1-2-4-6(5)8-9;5-4(6)3-1-2-3/h5,9H,1-4H2;3H,1-2H2,(H,5,6)
InChIKeyOFKGMPQDIOFLLR-UHFFFAOYSA-N
MW233.69 g/mol
LogP2.48
Rot. Bonds1

About N-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid

N-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid (PubChem CID 159978031) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is N-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid.

Molecular Properties

Compound NameN-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid
PubChem CID159978031
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC NameN-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid
SMILESO=C(O)C1CC1.ON=C1CCCCC1Cl
InChIInChI=1S/C6H10ClNO.C4H6O2/c7-5-3-1-2-4-6(5)8-9;5-4(6)3-1-2-3/h5,9H,1-4H2;3H,1-2H2,(H,5,6)
InChIKeyOFKGMPQDIOFLLR-UHFFFAOYSA-N
XLogP2.48
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid 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 N-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid?
The IUPAC name of N-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid (CID 159978031) is N-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid.
What is the SMILES notation for N-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid?
The canonical SMILES for N-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid is O=C(O)C1CC1.ON=C1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid?
The InChIKey is OFKGMPQDIOFLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO.C4H6O2/c7-5-3-1-2-4-6(5)8-9;5-4(6)3-1-2-3/h5,9H,1-4H2;3H,1-2H2,(H,5,6).
What are the key properties of N-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid?
N-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid has a molecular weight of 233.69 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexylidene)hydroxylamine;cyclopropanecarboxylic acid is sourced from PubChem (CID 159978031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).