propan-2-yl 2-butylindolizine-7-carboxylate

C16H21NO2 — CID 86696211

IUPACpropan-2-yl 2-butylindolizine-7-carboxylate
SMILESCCCCc1cc2cc(C(=O)OC(C)C)ccn2c1
InChIInChI=1S/C16H21NO2/c1-4-5-6-13-9-15-10-14(7-8-17(15)11-13)16(18)19-12(2)3/h7-12H,4-6H2,1-3H3
InChIKeyPEZUAUHIPJSIIK-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.85
Rot. Bonds5

About propan-2-yl 2-butylindolizine-7-carboxylate

propan-2-yl 2-butylindolizine-7-carboxylate (PubChem CID 86696211) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is propan-2-yl 2-butylindolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-butylindolizine-7-carboxylate
PubChem CID86696211
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Namepropan-2-yl 2-butylindolizine-7-carboxylate
SMILESCCCCc1cc2cc(C(=O)OC(C)C)ccn2c1
InChIInChI=1S/C16H21NO2/c1-4-5-6-13-9-15-10-14(7-8-17(15)11-13)16(18)19-12(2)3/h7-12H,4-6H2,1-3H3
InChIKeyPEZUAUHIPJSIIK-UHFFFAOYSA-N
XLogP3.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 2-butylindolizine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 2-phenylindolizine-7-carboxylate
CID 175803341
propan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate
CID 174957645
propan-2-yl 5-butylpyridine-2-carboxylate
CID 67977918
propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate
CID 112728304
propan-2-yl 4-ethylbenzoate
CID 583760
propan-2-yl 1-propan-2-ylpyrrole-3-carboxylate
CID 133060506
propan-2-yl 4-(3-chloropropyl)benzoate
CID 133056117
[5-(4-butylbenzoyl)oxy-2,6-dimethylheptan-3-yl] 4-butylbenzoate
CID 23125991
propan-2-yl 3-methoxy-4-octadecoxybenzoate
CID 170945921
butyl 3-methylbenzoate;propan-2-yl 3-methylbenzoate
CID 70234779
propan-2-yl 4-decoxy-3-methoxybenzoate
CID 170945925
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-butylindolizine-7-carboxylate?
The IUPAC name of propan-2-yl 2-butylindolizine-7-carboxylate (CID 86696211) is propan-2-yl 2-butylindolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 2-butylindolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 2-butylindolizine-7-carboxylate is CCCCc1cc2cc(C(=O)OC(C)C)ccn2c1.
What is the InChIKey of propan-2-yl 2-butylindolizine-7-carboxylate?
The InChIKey is PEZUAUHIPJSIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-5-6-13-9-15-10-14(7-8-17(15)11-13)16(18)19-12(2)3/h7-12H,4-6H2,1-3H3.
What are the key properties of propan-2-yl 2-butylindolizine-7-carboxylate?
propan-2-yl 2-butylindolizine-7-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-butylindolizine-7-carboxylate is sourced from PubChem (CID 86696211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).