ethyl 8-[(Z)-hydroxyiminomethyl]indolizine-5-carboxylate

C12H12N2O3 — CID 86685520

IUPACethyl 8-[(Z)-hydroxyiminomethyl]indolizine-5-carboxylate
SMILESCCOC(=O)c1ccc(/C=N\O)c2cccn12
InChIInChI=1S/C12H12N2O3/c1-2-17-12(15)11-6-5-9(8-13-16)10-4-3-7-14(10)11/h3-8,16H,2H2,1H3/b13-8-
InChIKeyZHMDEMXWTMKHRB-JYRVWZFOSA-N
MW232.24 g/mol
LogP1.92
Rot. Bonds3

About ethyl 8-[(Z)-hydroxyiminomethyl]indolizine-5-carboxylate

ethyl 8-[(Z)-hydroxyiminomethyl]indolizine-5-carboxylate (PubChem CID 86685520) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 8-[(Z)-hydroxyiminomethyl]indolizine-5-carboxylate.

Molecular Properties

Compound Nameethyl 8-[(Z)-hydroxyiminomethyl]indolizine-5-carboxylate
PubChem CID86685520
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 8-[(Z)-hydroxyiminomethyl]indolizine-5-carboxylate
SMILESCCOC(=O)c1ccc(/C=N\O)c2cccn12
InChIInChI=1S/C12H12N2O3/c1-2-17-12(15)11-6-5-9(8-13-16)10-4-3-7-14(10)11/h3-8,16H,2H2,1H3/b13-8-
InChIKeyZHMDEMXWTMKHRB-JYRVWZFOSA-N
XLogP1.92
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

ethyl 1-formylpyrrole-2-carboxylate
CID 69374156
ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate
CID 175101033
ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate
CID 57142997
ethyl 3-(18O)benzoylindolizine-1-carboxylate
CID 154722794
ethyl 1-(methylamino)pyrrole-2-carboxylate
CID 90307328
ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
ethyl 7-oxo-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),2,4,8,10,12,15,17-octaene-16-carboxylate
CID 135029591
ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate
CID 166563440
ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 90090238
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride
CID 131699646
diethyl 1-(dimethylaminomethylideneamino)pyrrole-2,5-dicarboxylate
CID 69326532

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[(Z)-hydroxyiminomethyl]indolizine-5-carboxylate?
The IUPAC name of ethyl 8-[(Z)-hydroxyiminomethyl]indolizine-5-carboxylate (CID 86685520) is ethyl 8-[(Z)-hydroxyiminomethyl]indolizine-5-carboxylate.
What is the SMILES notation for ethyl 8-[(Z)-hydroxyiminomethyl]indolizine-5-carboxylate?
The canonical SMILES for ethyl 8-[(Z)-hydroxyiminomethyl]indolizine-5-carboxylate is CCOC(=O)c1ccc(/C=N\O)c2cccn12.
What is the InChIKey of ethyl 8-[(Z)-hydroxyiminomethyl]indolizine-5-carboxylate?
The InChIKey is ZHMDEMXWTMKHRB-JYRVWZFOSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-17-12(15)11-6-5-9(8-13-16)10-4-3-7-14(10)11/h3-8,16H,2H2,1H3/b13-8-.
What are the key properties of ethyl 8-[(Z)-hydroxyiminomethyl]indolizine-5-carboxylate?
ethyl 8-[(Z)-hydroxyiminomethyl]indolizine-5-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[(Z)-hydroxyiminomethyl]indolizine-5-carboxylate is sourced from PubChem (CID 86685520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).