4-ethanimidoylcyclohexan-1-ol

C8H15NO — CID 123807945

IUPAC4-ethanimidoylcyclohexan-1-ol
SMILES[H]/N=C(\C)C1CCC(O)CC1
InChIInChI=1S/C8H15NO/c1-6(9)7-2-4-8(10)5-3-7/h7-10H,2-5H2,1H3/b9-6+
InChIKeyAINQIHHHVPKIQE-RMKNXTFCSA-N
MW141.21 g/mol
LogP1.58
Rot. Bonds1

About 4-ethanimidoylcyclohexan-1-ol

4-ethanimidoylcyclohexan-1-ol (PubChem CID 123807945) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-ethanimidoylcyclohexan-1-ol.

Molecular Properties

Compound Name4-ethanimidoylcyclohexan-1-ol
PubChem CID123807945
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-ethanimidoylcyclohexan-1-ol
SMILES[H]/N=C(\C)C1CCC(O)CC1
InChIInChI=1S/C8H15NO/c1-6(9)7-2-4-8(10)5-3-7/h7-10H,2-5H2,1H3/b9-6+
InChIKeyAINQIHHHVPKIQE-RMKNXTFCSA-N
XLogP1.58
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-ethanimidoylcyclohexan-1-ol?
The IUPAC name of 4-ethanimidoylcyclohexan-1-ol (CID 123807945) is 4-ethanimidoylcyclohexan-1-ol.
What is the SMILES notation for 4-ethanimidoylcyclohexan-1-ol?
The canonical SMILES for 4-ethanimidoylcyclohexan-1-ol is [H]/N=C(\C)C1CCC(O)CC1.
What is the InChIKey of 4-ethanimidoylcyclohexan-1-ol?
The InChIKey is AINQIHHHVPKIQE-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(9)7-2-4-8(10)5-3-7/h7-10H,2-5H2,1H3/b9-6+.
What are the key properties of 4-ethanimidoylcyclohexan-1-ol?
4-ethanimidoylcyclohexan-1-ol has a molecular weight of 141.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanimidoylcyclohexan-1-ol is sourced from PubChem (CID 123807945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).