ethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate

C10H17NO3 — CID 45089497

IUPACethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate
SMILESCCOC(=O)[C@]1(C)CCCC/C1=N\O
InChIInChI=1S/C10H17NO3/c1-3-14-9(12)10(2)7-5-4-6-8(10)11-13/h13H,3-7H2,1-2H3/b11-8+/t10-/m1/s1
InChIKeyCHZMOGXAUUSINE-MXBGMFSPSA-N
MW199.25 g/mol
LogP1.96
Rot. Bonds2

About ethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate

ethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate (PubChem CID 45089497) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate
PubChem CID45089497
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate
SMILESCCOC(=O)[C@]1(C)CCCC/C1=N\O
InChIInChI=1S/C10H17NO3/c1-3-14-9(12)10(2)7-5-4-6-8(10)11-13/h13H,3-7H2,1-2H3/b11-8+/t10-/m1/s1
InChIKeyCHZMOGXAUUSINE-MXBGMFSPSA-N
XLogP1.96
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate 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

ethyl (1S,2Z)-2-methoxyimino-1-methylcyclohexane-1-carboxylate
CID 125476524
ethyl (1S)-1-methyl-2-oxocyclohexane-1-carboxylate
CID 67188808
ethyl 1-methyl-2-oxocycloheptane-1-carboxylate
CID 14667932
ethyl 1-methyl-2-oxocyclododecane-1-carboxylate
CID 101250461
ethyl 1-methyl-2-oxocyclopentane-1-carboxylate;iodomethane
CID 91535747
ethyl (1R)-1,3,3-trimethyl-2-oxocyclohexane-1-carboxylate
CID 1268168
(2Z)-1-ethoxy-2-hydroxyiminocyclohexan-1-ol
CID 45091147
ethyl (1S)-2-oxo-1-prop-2-enylcyclohexane-1-carboxylate
CID 11074660
diethyl 1,2,3,4,6,7,8,9-octahydrophenazine-4a,9a-dicarboxylate
CID 11439046
ethyl 1-[(E)-4-(1-ethoxycarbonyl-2-oxocycloheptyl)but-2-enyl]-2-oxocycloheptane-1-carboxylate
CID 11154373
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
CID 142438427
ethyl 1-ethyl-2-oxocycloheptane-1-carboxylate
CID 15074127

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate?
The IUPAC name of ethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate (CID 45089497) is ethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate is CCOC(=O)[C@]1(C)CCCC/C1=N\O.
What is the InChIKey of ethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate?
The InChIKey is CHZMOGXAUUSINE-MXBGMFSPSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-14-9(12)10(2)7-5-4-6-8(10)11-13/h13H,3-7H2,1-2H3/b11-8+/t10-/m1/s1.
What are the key properties of ethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate?
ethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2E)-2-hydroxyimino-1-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 45089497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).