ethyl 6-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

C18H18ClNO3 — CID 86275517

IUPACethyl 6-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2Cl)c(=O)n2c1CCC2
InChIInChI=1S/C18H18ClNO3/c1-2-23-18(22)14-11-13(10-12-6-3-4-7-15(12)19)17(21)20-9-5-8-16(14)20/h3-4,6-7,11H,2,5,8-10H2,1H3
InChIKeyMWHROKVGQVXNBO-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.22
Rot. Bonds4

About ethyl 6-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate

ethyl 6-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (PubChem CID 86275517) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is ethyl 6-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
PubChem CID86275517
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Nameethyl 6-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2Cl)c(=O)n2c1CCC2
InChIInChI=1S/C18H18ClNO3/c1-2-23-18(22)14-11-13(10-12-6-3-4-7-15(12)19)17(21)20-9-5-8-16(14)20/h3-4,6-7,11H,2,5,8-10H2,1H3
InChIKeyMWHROKVGQVXNBO-UHFFFAOYSA-N
XLogP3.22
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The IUPAC name of ethyl 6-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (CID 86275517) is ethyl 6-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.
What is the SMILES notation for ethyl 6-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The canonical SMILES for ethyl 6-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is CCOC(=O)c1cc(Cc2ccccc2Cl)c(=O)n2c1CCC2.
What is the InChIKey of ethyl 6-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The InChIKey is MWHROKVGQVXNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-2-23-18(22)14-11-13(10-12-6-3-4-7-15(12)19)17(21)20-9-5-8-16(14)20/h3-4,6-7,11H,2,5,8-10H2,1H3.
What are the key properties of ethyl 6-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
ethyl 6-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate has a molecular weight of 331.80 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-chlorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is sourced from PubChem (CID 86275517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).