N-(2-methoxycyclohex-2-en-1-ylidene)hydroxylamine;hydrochloride

C7H12ClNO2 — CID 71444642

IUPACN-(2-methoxycyclohex-2-en-1-ylidene)hydroxylamine;hydrochloride
SMILESCOC1=CCCCC1=NO.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-10-7-5-3-2-4-6(7)8-9;/h5,9H,2-4H2,1H3;1H
InChIKeyLIUKIJITIXQQAS-UHFFFAOYSA-N
MW177.63 g/mol
LogP1.95
Rot. Bonds1

About N-(2-methoxycyclohex-2-en-1-ylidene)hydroxylamine;hydrochloride

N-(2-methoxycyclohex-2-en-1-ylidene)hydroxylamine;hydrochloride (PubChem CID 71444642) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is N-(2-methoxycyclohex-2-en-1-ylidene)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxycyclohex-2-en-1-ylidene)hydroxylamine;hydrochloride
PubChem CID71444642
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC NameN-(2-methoxycyclohex-2-en-1-ylidene)hydroxylamine;hydrochloride
SMILESCOC1=CCCCC1=NO.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-10-7-5-3-2-4-6(7)8-9;/h5,9H,2-4H2,1H3;1H
InChIKeyLIUKIJITIXQQAS-UHFFFAOYSA-N
XLogP1.95
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 51.95
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 N-(2-methoxycyclohex-2-en-1-ylidene)hydroxylamine;hydrochloride?
The IUPAC name of N-(2-methoxycyclohex-2-en-1-ylidene)hydroxylamine;hydrochloride (CID 71444642) is N-(2-methoxycyclohex-2-en-1-ylidene)hydroxylamine;hydrochloride.
What is the SMILES notation for N-(2-methoxycyclohex-2-en-1-ylidene)hydroxylamine;hydrochloride?
The canonical SMILES for N-(2-methoxycyclohex-2-en-1-ylidene)hydroxylamine;hydrochloride is COC1=CCCCC1=NO.Cl.
What is the InChIKey of N-(2-methoxycyclohex-2-en-1-ylidene)hydroxylamine;hydrochloride?
The InChIKey is LIUKIJITIXQQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c1-10-7-5-3-2-4-6(7)8-9;/h5,9H,2-4H2,1H3;1H.
What are the key properties of N-(2-methoxycyclohex-2-en-1-ylidene)hydroxylamine;hydrochloride?
N-(2-methoxycyclohex-2-en-1-ylidene)hydroxylamine;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohex-2-en-1-ylidene)hydroxylamine;hydrochloride is sourced from PubChem (CID 71444642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).