(1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride

C8H11ClN2O — CID 121228925

IUPAC(1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride
SMILESN#CC1CCC(/C(Cl)=N/O)CC1
InChIInChI=1S/C8H11ClN2O/c9-8(11-12)7-3-1-6(5-10)2-4-7/h6-7,12H,1-4H2/b11-8-
InChIKeyUVTAJZQTQMQTGQ-FLIBITNWSA-N
MW186.64 g/mol
LogP2.34
Rot. Bonds1

About (1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride

(1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride (PubChem CID 121228925) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is (1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride
PubChem CID121228925
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name(1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride
SMILESN#CC1CCC(/C(Cl)=N/O)CC1
InChIInChI=1S/C8H11ClN2O/c9-8(11-12)7-3-1-6(5-10)2-4-7/h6-7,12H,1-4H2/b11-8-
InChIKeyUVTAJZQTQMQTGQ-FLIBITNWSA-N
XLogP2.34
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride?
The IUPAC name of (1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride (CID 121228925) is (1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride.
What is the SMILES notation for (1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride?
The canonical SMILES for (1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride is N#CC1CCC(/C(Cl)=N/O)CC1.
What is the InChIKey of (1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride?
The InChIKey is UVTAJZQTQMQTGQ-FLIBITNWSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-8(11-12)7-3-1-6(5-10)2-4-7/h6-7,12H,1-4H2/b11-8-.
What are the key properties of (1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride?
(1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride has a molecular weight of 186.64 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-cyano-N-hydroxycyclohexane-1-carboximidoyl chloride is sourced from PubChem (CID 121228925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).