N-hydroxycyclohexanecarboximidoyl chloride

C7H12ClNO — CID 71364241

IUPACN-hydroxycyclohexanecarboximidoyl chloride
SMILESON=C(Cl)C1CCCCC1
InChIInChI=1S/C7H12ClNO/c8-7(9-10)6-4-2-1-3-5-6/h6,10H,1-5H2
InChIKeyNNKVOGOHPCCQAQ-UHFFFAOYSA-N
MW161.63 g/mol
LogP2.59
Rot. Bonds1

About N-hydroxycyclohexanecarboximidoyl chloride

N-hydroxycyclohexanecarboximidoyl chloride (PubChem CID 71364241) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is N-hydroxycyclohexanecarboximidoyl chloride.

Molecular Properties

Compound NameN-hydroxycyclohexanecarboximidoyl chloride
PubChem CID71364241
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC NameN-hydroxycyclohexanecarboximidoyl chloride
SMILESON=C(Cl)C1CCCCC1
InChIInChI=1S/C7H12ClNO/c8-7(9-10)6-4-2-1-3-5-6/h6,10H,1-5H2
InChIKeyNNKVOGOHPCCQAQ-UHFFFAOYSA-N
XLogP2.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-hydroxycyclohexanecarboximidoyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

(1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride
CID 121228925
N-hydroxybicyclo[4.1.0]heptane-3-carboximidoyl chloride
CID 86704407
(E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride
CID 11096875
1,2,2-trichloroethenylcyclopentane
CID 596036
[(Z)-1-chloro-2-fluoroethenyl]cyclohexane
CID 134933388
(2Z)-2-cyclopentyl-2-hydroxyiminoacetonitrile
CID 20811086
acetyl chloride;cycloheptane;cycloheptanecarboxylic acid
CID 157332858
(NZ)-N-(1-cyclohexyl-3,3-dimethylbutylidene)hydroxylamine
CID 59350977
chloromethane;cyclohexanecarboxylic acid
CID 160928112
N-(1-cyclohexylethenyl)methanimine
CID 123927347
N'-aminocycloheptanecarboximidamide
CID 4225506
(NE)-N-(1-cyclohexyl-2,2,3-trimethylbut-3-enylidene)hydroxylamine
CID 138580980

Frequently Asked Questions

What is the IUPAC name of N-hydroxycyclohexanecarboximidoyl chloride?
The IUPAC name of N-hydroxycyclohexanecarboximidoyl chloride (CID 71364241) is N-hydroxycyclohexanecarboximidoyl chloride.
What is the SMILES notation for N-hydroxycyclohexanecarboximidoyl chloride?
The canonical SMILES for N-hydroxycyclohexanecarboximidoyl chloride is ON=C(Cl)C1CCCCC1.
What is the InChIKey of N-hydroxycyclohexanecarboximidoyl chloride?
The InChIKey is NNKVOGOHPCCQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO/c8-7(9-10)6-4-2-1-3-5-6/h6,10H,1-5H2.
What are the key properties of N-hydroxycyclohexanecarboximidoyl chloride?
N-hydroxycyclohexanecarboximidoyl chloride has a molecular weight of 161.63 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxycyclohexanecarboximidoyl chloride is sourced from PubChem (CID 71364241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).