cyclohexylideneurea;hydrochloride

C7H13ClN2O — CID 174413161

IUPACcyclohexylideneurea;hydrochloride
SMILESCl.NC(=O)N=C1CCCCC1
InChIInChI=1S/C7H12N2O.ClH/c8-7(10)9-6-4-2-1-3-5-6;/h1-5H2,(H2,8,10);1H
InChIKeyWDHDYMHGDWSFNF-UHFFFAOYSA-N
MW176.65 g/mol
LogP1.89
Rot. Bonds

About cyclohexylideneurea;hydrochloride

cyclohexylideneurea;hydrochloride (PubChem CID 174413161) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is cyclohexylideneurea;hydrochloride.

Molecular Properties

Compound Namecyclohexylideneurea;hydrochloride
PubChem CID174413161
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Namecyclohexylideneurea;hydrochloride
SMILESCl.NC(=O)N=C1CCCCC1
InChIInChI=1S/C7H12N2O.ClH/c8-7(10)9-6-4-2-1-3-5-6;/h1-5H2,(H2,8,10);1H
InChIKeyWDHDYMHGDWSFNF-UHFFFAOYSA-N
XLogP1.89
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexylideneurea;hydrochloride?
The IUPAC name of cyclohexylideneurea;hydrochloride (CID 174413161) is cyclohexylideneurea;hydrochloride.
What is the SMILES notation for cyclohexylideneurea;hydrochloride?
The canonical SMILES for cyclohexylideneurea;hydrochloride is Cl.NC(=O)N=C1CCCCC1.
What is the InChIKey of cyclohexylideneurea;hydrochloride?
The InChIKey is WDHDYMHGDWSFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.ClH/c8-7(10)9-6-4-2-1-3-5-6;/h1-5H2,(H2,8,10);1H.
What are the key properties of cyclohexylideneurea;hydrochloride?
cyclohexylideneurea;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylideneurea;hydrochloride is sourced from PubChem (CID 174413161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).