methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate

C7H11NO3 — CID 15297219

IUPACmethyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC/C1=N\O
InChIInChI=1S/C7H11NO3/c1-11-7(9)5-3-2-4-6(5)8-10/h5,10H,2-4H2,1H3/b8-6+
InChIKeyWBOYJWWMGCEJFK-SOFGYWHQSA-N
MW157.17 g/mol
LogP0.79
Rot. Bonds1

About methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate

methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate (PubChem CID 15297219) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate
PubChem CID15297219
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC/C1=N\O
InChIInChI=1S/C7H11NO3/c1-11-7(9)5-3-2-4-6(5)8-10/h5,10H,2-4H2,1H3/b8-6+
InChIKeyWBOYJWWMGCEJFK-SOFGYWHQSA-N
XLogP0.79
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.79
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate?
The IUPAC name of methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate (CID 15297219) is methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate.
What is the SMILES notation for methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate?
The canonical SMILES for methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate is COC(=O)C1CCC/C1=N\O.
What is the InChIKey of methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate?
The InChIKey is WBOYJWWMGCEJFK-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11NO3/c1-11-7(9)5-3-2-4-6(5)8-10/h5,10H,2-4H2,1H3/b8-6+.
What are the key properties of methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate?
methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate has a molecular weight of 157.17 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-hydroxyiminocyclopentane-1-carboxylate is sourced from PubChem (CID 15297219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).