ethyl 6-hydroxyiminobicyclo[2.2.1]heptane-2-carboxylate

C10H15NO3 — CID 74072385

IUPACethyl 6-hydroxyiminobicyclo[2.2.1]heptane-2-carboxylate
SMILESCCOC(=O)C1CC2CC(=NO)C1C2
InChIInChI=1S/C10H15NO3/c1-2-14-10(12)8-4-6-3-7(8)9(5-6)11-13/h6-8,13H,2-5H2,1H3
InChIKeyQWYDOKQGSMVIDO-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.43
Rot. Bonds2

About ethyl 6-hydroxyiminobicyclo[2.2.1]heptane-2-carboxylate

ethyl 6-hydroxyiminobicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 74072385) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 6-hydroxyiminobicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-hydroxyiminobicyclo[2.2.1]heptane-2-carboxylate
PubChem CID74072385
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 6-hydroxyiminobicyclo[2.2.1]heptane-2-carboxylate
SMILESCCOC(=O)C1CC2CC(=NO)C1C2
InChIInChI=1S/C10H15NO3/c1-2-14-10(12)8-4-6-3-7(8)9(5-6)11-13/h6-8,13H,2-5H2,1H3
InChIKeyQWYDOKQGSMVIDO-UHFFFAOYSA-N
XLogP1.43
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.43
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 ethyl 6-hydroxyiminobicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of ethyl 6-hydroxyiminobicyclo[2.2.1]heptane-2-carboxylate (CID 74072385) is ethyl 6-hydroxyiminobicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for ethyl 6-hydroxyiminobicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for ethyl 6-hydroxyiminobicyclo[2.2.1]heptane-2-carboxylate is CCOC(=O)C1CC2CC(=NO)C1C2.
What is the InChIKey of ethyl 6-hydroxyiminobicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is QWYDOKQGSMVIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-14-10(12)8-4-6-3-7(8)9(5-6)11-13/h6-8,13H,2-5H2,1H3.
What are the key properties of ethyl 6-hydroxyiminobicyclo[2.2.1]heptane-2-carboxylate?
ethyl 6-hydroxyiminobicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-hydroxyiminobicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 74072385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).