2-methanimidoylcyclohexane-1,4-diol

C7H13NO2 — CID 89209202

IUPAC2-methanimidoylcyclohexane-1,4-diol
SMILES[H]/N=C/C1CC(O)CCC1O
InChIInChI=1S/C7H13NO2/c8-4-5-3-6(9)1-2-7(5)10/h4-10H,1-3H2/b8-4+
InChIKeyPXRCEFGXSUVMHL-XBXARRHUSA-N
MW143.19 g/mol
LogP0.16
Rot. Bonds1

About 2-methanimidoylcyclohexane-1,4-diol

2-methanimidoylcyclohexane-1,4-diol (PubChem CID 89209202) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-methanimidoylcyclohexane-1,4-diol.

Molecular Properties

Compound Name2-methanimidoylcyclohexane-1,4-diol
PubChem CID89209202
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-methanimidoylcyclohexane-1,4-diol
SMILES[H]/N=C/C1CC(O)CCC1O
InChIInChI=1S/C7H13NO2/c8-4-5-3-6(9)1-2-7(5)10/h4-10H,1-3H2/b8-4+
InChIKeyPXRCEFGXSUVMHL-XBXARRHUSA-N
XLogP0.16
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-methanimidoylcyclohexane-1,4-diol?
The IUPAC name of 2-methanimidoylcyclohexane-1,4-diol (CID 89209202) is 2-methanimidoylcyclohexane-1,4-diol.
What is the SMILES notation for 2-methanimidoylcyclohexane-1,4-diol?
The canonical SMILES for 2-methanimidoylcyclohexane-1,4-diol is [H]/N=C/C1CC(O)CCC1O.
What is the InChIKey of 2-methanimidoylcyclohexane-1,4-diol?
The InChIKey is PXRCEFGXSUVMHL-XBXARRHUSA-N. The full InChI is InChI=1S/C7H13NO2/c8-4-5-3-6(9)1-2-7(5)10/h4-10H,1-3H2/b8-4+.
What are the key properties of 2-methanimidoylcyclohexane-1,4-diol?
2-methanimidoylcyclohexane-1,4-diol has a molecular weight of 143.19 g/mol, XLogP of 0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoylcyclohexane-1,4-diol is sourced from PubChem (CID 89209202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).