trans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol

C7H13NO2 — CID 118263183

IUPACtrans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol
SMILESC[C@@H]1CC/C(=N/O)C[C@H]1O
InChIInChI=1S/C7H13NO2/c1-5-2-3-6(8-10)4-7(5)9/h5,7,9-10H,2-4H2,1H3/b8-6-/t5-,7-/m1/s1
InChIKeyPOOPCUAPHJCPFO-URKXLQAUSA-N
MW143.19 g/mol
LogP1.00
Rot. Bonds

About trans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol

trans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol (PubChem CID 118263183) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is trans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol
PubChem CID118263183
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nametrans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol
SMILESC[C@@H]1CC/C(=N/O)C[C@H]1O
InChIInChI=1S/C7H13NO2/c1-5-2-3-6(8-10)4-7(5)9/h5,7,9-10H,2-4H2,1H3/b8-6-/t5-,7-/m1/s1
InChIKeyPOOPCUAPHJCPFO-URKXLQAUSA-N
XLogP1.00
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.00
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'}

Analyze trans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 134992670
CID 134992670
CID 134996633
CID 134996633
CID 133615818
CID 133615818
CID 21308558
CID 21308558
CID 85874775
CID 85874775
CID 88304091
CID 88304091
CID 88304155
CID 88304155
CID 88304156
CID 88304156
CID 88304176
CID 88304176
CID 88304646
CID 88304646
CID 88304904
CID 88304904
CID 88304986
CID 88304986

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol (CID 118263183) is trans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol is C[C@@H]1CC/C(=N/O)C[C@H]1O.
What is the InChIKey of trans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol?
The InChIKey is POOPCUAPHJCPFO-URKXLQAUSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-2-3-6(8-10)4-7(5)9/h5,7,9-10H,2-4H2,1H3/b8-6-/t5-,7-/m1/s1.
What are the key properties of trans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol?
trans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol has a molecular weight of 143.19 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R,5Z)-5-hydroxyimino-2-methylcyclohexan-1-ol is sourced from PubChem (CID 118263183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).