ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate

C18H15NO4 — CID 175101033

IUPACethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2O)c2ccccn12
InChIInChI=1S/C18H15NO4/c1-2-23-18(22)15-11-13(14-8-5-6-10-19(14)15)17(21)12-7-3-4-9-16(12)20/h3-11,20H,2H2,1H3
InChIKeyROHIHLVPEAQGOO-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.05
Rot. Bonds4

About ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate

ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate (PubChem CID 175101033) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate
PubChem CID175101033
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Nameethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2O)c2ccccn12
InChIInChI=1S/C18H15NO4/c1-2-23-18(22)15-11-13(14-8-5-6-10-19(14)15)17(21)12-7-3-4-9-16(12)20/h3-11,20H,2H2,1H3
InChIKeyROHIHLVPEAQGOO-UHFFFAOYSA-N
XLogP3.05
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(18O)benzoylindolizine-1-carboxylate
CID 154722794
ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate
CID 132502553
ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
ethyl 3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]indolizine-1-carboxylate
CID 127043507
ethyl 3-pyridin-2-ylindolizine-1-carboxylate
CID 154722576
3-[(1-ethoxycarbonylindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid
CID 141317092
methyl 3-(4-methylbenzoyl)indolizine-1-carboxylate
CID 51056212
ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate
CID 146270718
ethyl 3-benzoyl-2-methylindolizine-8-carboxylate
CID 15562899
methyl 3-(3-methylbenzoyl)indolizine-1-carboxylate
CID 54764304

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate (CID 175101033) is ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate is CCOC(=O)c1cc(C(=O)c2ccccc2O)c2ccccn12.
What is the InChIKey of ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate?
The InChIKey is ROHIHLVPEAQGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-2-23-18(22)15-11-13(14-8-5-6-10-19(14)15)17(21)12-7-3-4-9-16(12)20/h3-11,20H,2H2,1H3.
What are the key properties of ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate?
ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate is sourced from PubChem (CID 175101033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).