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

C18H17NO2 — CID 2763671

IUPACethyl 2-(4-methylphenyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)cc2)cn2ccccc12
InChIInChI=1S/C18H17NO2/c1-3-21-18(20)17-15(14-9-7-13(2)8-10-14)12-19-11-5-4-6-16(17)19/h4-12H,3H2,1-2H3
InChIKeyJWLUGUDRRNOLMC-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.09
Rot. Bonds3

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

ethyl 2-(4-methylphenyl)indolizine-1-carboxylate (PubChem CID 2763671) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 2-(4-methylphenyl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylphenyl)indolizine-1-carboxylate
PubChem CID2763671
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Nameethyl 2-(4-methylphenyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)cc2)cn2ccccc12
InChIInChI=1S/C18H17NO2/c1-3-21-18(20)17-15(14-9-7-13(2)8-10-14)12-19-11-5-4-6-16(17)19/h4-12H,3H2,1-2H3
InChIKeyJWLUGUDRRNOLMC-UHFFFAOYSA-N
XLogP4.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tropisetron
CID 656665
(1-(2-((Methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl 1-methyl-1H-indole-3-carboxylate
CID 119376
Tropisetron hydrochloride
CID 656664
Methyl indole-3-carboxylate
CID 589098
SB 203186
CID 3272300
1-benzyl-1H-indole-3-carboxylic acid
CID 33671
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylic acid ester monohydrochloride
CID 9818540
1-Piperidinylethyl-1H-indole-3-carboxylate hydrochloride
CID 9926639
Methyl 1-methyl-1H-indole-3-carboxylate
CID 842006
1-Methylindole-3-carboxylic acid
CID 854040
Nortropisetron
CID 10199314
methyl 1-methoxy-1H-indole-3-carboxylate
CID 10465540

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylphenyl)indolizine-1-carboxylate?
The IUPAC name of ethyl 2-(4-methylphenyl)indolizine-1-carboxylate (CID 2763671) is ethyl 2-(4-methylphenyl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylphenyl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 2-(4-methylphenyl)indolizine-1-carboxylate is CCOC(=O)c1c(-c2ccc(C)cc2)cn2ccccc12.
What is the InChIKey of ethyl 2-(4-methylphenyl)indolizine-1-carboxylate?
The InChIKey is JWLUGUDRRNOLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-21-18(20)17-15(14-9-7-13(2)8-10-14)12-19-11-5-4-6-16(17)19/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-methylphenyl)indolizine-1-carboxylate?
ethyl 2-(4-methylphenyl)indolizine-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylphenyl)indolizine-1-carboxylate is sourced from PubChem (CID 2763671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).