1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol

C13H17NO2 — CID 6372833

IUPAC1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol
SMILESO/N=C(\c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C13H17NO2/c15-13(9-5-2-6-10-13)12(14-16)11-7-3-1-4-8-11/h1,3-4,7-8,15-16H,2,5-6,9-10H2/b14-12+
InChIKeyVXLCGQUVQKVBJM-WYMLVPIESA-N
MW219.28 g/mol
LogP2.56
Rot. Bonds2

About 1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol

1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol (PubChem CID 6372833) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol
PubChem CID6372833
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol
SMILESO/N=C(\c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C13H17NO2/c15-13(9-5-2-6-10-13)12(14-16)11-7-3-1-4-8-11/h1,3-4,7-8,15-16H,2,5-6,9-10H2/b14-12+
InChIKeyVXLCGQUVQKVBJM-WYMLVPIESA-N
XLogP2.56
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
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 1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol (CID 6372833) is 1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol is O/N=C(\c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol?
The InChIKey is VXLCGQUVQKVBJM-WYMLVPIESA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(9-5-2-6-10-13)12(14-16)11-7-3-1-4-8-11/h1,3-4,7-8,15-16H,2,5-6,9-10H2/b14-12+.
What are the key properties of 1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol?
1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol has a molecular weight of 219.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol is sourced from PubChem (CID 6372833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).