ethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate

C18H17NO3 — CID 2763434

IUPACethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)cn2ccccc12
InChIInChI=1S/C18H17NO3/c1-3-22-18(20)17-15(12-19-11-5-4-6-16(17)19)13-7-9-14(21-2)10-8-13/h4-12H,3H2,1-2H3
InChIKeyABHJVAZWQJYWSZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.79
Rot. Bonds4

About ethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate

ethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate (PubChem CID 2763434) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate
PubChem CID2763434
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)cn2ccccc12
InChIInChI=1S/C18H17NO3/c1-3-22-18(20)17-15(12-19-11-5-4-6-16(17)19)13-7-9-14(21-2)10-8-13/h4-12H,3H2,1-2H3
InChIKeyABHJVAZWQJYWSZ-UHFFFAOYSA-N
XLogP3.79
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate (CID 2763434) is ethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate is CCOC(=O)c1c(-c2ccc(OC)cc2)cn2ccccc12.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate?
The InChIKey is ABHJVAZWQJYWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-3-22-18(20)17-15(12-19-11-5-4-6-16(17)19)13-7-9-14(21-2)10-8-13/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate?
ethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)indolizine-1-carboxylate is sourced from PubChem (CID 2763434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).