ethyl 2-formyl-6-hydroxyindolizine-7-carboxylate

C12H11NO4 — CID 166064916

IUPACethyl 2-formyl-6-hydroxyindolizine-7-carboxylate
SMILESCCOC(=O)c1cc2cc(C=O)cn2cc1O
InChIInChI=1S/C12H11NO4/c1-2-17-12(16)10-4-9-3-8(7-14)5-13(9)6-11(10)15/h3-7,15H,2H2,1H3
InChIKeyKRFXIRQCKCLSDT-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.63
Rot. Bonds3

About ethyl 2-formyl-6-hydroxyindolizine-7-carboxylate

ethyl 2-formyl-6-hydroxyindolizine-7-carboxylate (PubChem CID 166064916) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is ethyl 2-formyl-6-hydroxyindolizine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-formyl-6-hydroxyindolizine-7-carboxylate
PubChem CID166064916
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Nameethyl 2-formyl-6-hydroxyindolizine-7-carboxylate
SMILESCCOC(=O)c1cc2cc(C=O)cn2cc1O
InChIInChI=1S/C12H11NO4/c1-2-17-12(16)10-4-9-3-8(7-14)5-13(9)6-11(10)15/h3-7,15H,2H2,1H3
InChIKeyKRFXIRQCKCLSDT-UHFFFAOYSA-N
XLogP1.63
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-methyl-2-propanoylindolizine-7-carboxylate
CID 102279061
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ethyl 5-cyano-4-formyl-2-hydroxybenzoate
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ethyl 7-formyl-1-methyl-4-oxoquinoline-3-carboxylate
CID 22626917
diethyl 4-amino-5-hydroxybenzene-1,2-dicarboxylate
CID 19800643
ethyl 5-[(3-ethoxycarbonyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
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ethyl 5-formyl-2,4-dihydroxybenzoate;ethyl 5-formyl-2,4-dimethoxybenzoate
CID 161017008

Frequently Asked Questions

What is the IUPAC name of ethyl 2-formyl-6-hydroxyindolizine-7-carboxylate?
The IUPAC name of ethyl 2-formyl-6-hydroxyindolizine-7-carboxylate (CID 166064916) is ethyl 2-formyl-6-hydroxyindolizine-7-carboxylate.
What is the SMILES notation for ethyl 2-formyl-6-hydroxyindolizine-7-carboxylate?
The canonical SMILES for ethyl 2-formyl-6-hydroxyindolizine-7-carboxylate is CCOC(=O)c1cc2cc(C=O)cn2cc1O.
What is the InChIKey of ethyl 2-formyl-6-hydroxyindolizine-7-carboxylate?
The InChIKey is KRFXIRQCKCLSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-2-17-12(16)10-4-9-3-8(7-14)5-13(9)6-11(10)15/h3-7,15H,2H2,1H3.
What are the key properties of ethyl 2-formyl-6-hydroxyindolizine-7-carboxylate?
ethyl 2-formyl-6-hydroxyindolizine-7-carboxylate has a molecular weight of 233.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formyl-6-hydroxyindolizine-7-carboxylate is sourced from PubChem (CID 166064916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).