methyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate

C20H21NO2 — CID 141360951

IUPACmethyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate
SMILESCOC(=O)c1cc2cccc(-c3ccc(C(C)(C)C)cc3)n2c1
InChIInChI=1S/C20H21NO2/c1-20(2,3)16-10-8-14(9-11-16)18-7-5-6-17-12-15(13-21(17)18)19(22)23-4/h5-13H,1-4H3
InChIKeyRISXSUBJZLYPMS-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.69
Rot. Bonds2

About methyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate

methyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate (PubChem CID 141360951) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate
PubChem CID141360951
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Namemethyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate
SMILESCOC(=O)c1cc2cccc(-c3ccc(C(C)(C)C)cc3)n2c1
InChIInChI=1S/C20H21NO2/c1-20(2,3)16-10-8-14(9-11-16)18-7-5-6-17-12-15(13-21(17)18)19(22)23-4/h5-13H,1-4H3
InChIKeyRISXSUBJZLYPMS-UHFFFAOYSA-N
XLogP4.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(3-methylphenyl)indolizine-2-carboxylate
CID 141361015
methyl 5-thiophen-3-ylindolizine-2-carboxylate
CID 141360977
methyl pyrrolo[1,2-a]quinoline-2-carboxylate
CID 122223914
methyl 3-(4-tert-butylphenyl)-5-(1,1-difluoroethyl)benzoate
CID 102301048
methyl 3-(4-tert-butylbenzoyl)oxybenzoate
CID 4981580
dimethyl 5-(4-tert-butylanilino)benzene-1,3-dicarboxylate
CID 155291762
1-O-methyl 3-O-[4-[2-(4-methylphenyl)propan-2-yl]phenyl] benzene-1,3-dicarboxylate
CID 22898067
methyl 4-[4-[bis[4-(4-methoxycarbonylphenyl)phenyl]-[4-(4-methylphenyl)phenyl]methyl]phenyl]benzoate
CID 118119644
methyl 4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzoate
CID 134274011
methyl 3-(4-tert-butylphenoxy)sulfonylbenzoate
CID 31700792
CID 70265363
CID 70265363
CID 159558349
CID 159558349

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate?
The IUPAC name of methyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate (CID 141360951) is methyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate.
What is the SMILES notation for methyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate?
The canonical SMILES for methyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate is COC(=O)c1cc2cccc(-c3ccc(C(C)(C)C)cc3)n2c1.
What is the InChIKey of methyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate?
The InChIKey is RISXSUBJZLYPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-20(2,3)16-10-8-14(9-11-16)18-7-5-6-17-12-15(13-21(17)18)19(22)23-4/h5-13H,1-4H3.
What are the key properties of methyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate?
methyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-tert-butylphenyl)indolizine-2-carboxylate is sourced from PubChem (CID 141360951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).