1-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol

C15H21NO2 — CID 6510135

IUPAC1-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol
SMILESC/C(=N/OCc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C15H21NO2/c1-13(15(17)10-6-3-7-11-15)16-18-12-14-8-4-2-5-9-14/h2,4-5,8-9,17H,3,6-7,10-12H2,1H3/b16-13-
InChIKeyXFRVZPSPSCYZMI-SSZFMOIBSA-N
MW247.34 g/mol
LogP3.27
Rot. Bonds4

About 1-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol

1-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol (PubChem CID 6510135) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol
PubChem CID6510135
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol
SMILESC/C(=N/OCc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C15H21NO2/c1-13(15(17)10-6-3-7-11-15)16-18-12-14-8-4-2-5-9-14/h2,4-5,8-9,17H,3,6-7,10-12H2,1H3/b16-13-
InChIKeyXFRVZPSPSCYZMI-SSZFMOIBSA-N
XLogP3.27
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol?
The IUPAC name of 1-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol (CID 6510135) is 1-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol is C/C(=N/OCc1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol?
The InChIKey is XFRVZPSPSCYZMI-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H21NO2/c1-13(15(17)10-6-3-7-11-15)16-18-12-14-8-4-2-5-9-14/h2,4-5,8-9,17H,3,6-7,10-12H2,1H3/b16-13-.
What are the key properties of 1-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol?
1-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-ol is sourced from PubChem (CID 6510135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).