propan-2-yl 2-phenylindolizine-7-carboxylate

C18H17NO2 — CID 175803341

IUPACpropan-2-yl 2-phenylindolizine-7-carboxylate
SMILESCC(C)OC(=O)c1ccn2cc(-c3ccccc3)cc2c1
InChIInChI=1S/C18H17NO2/c1-13(2)21-18(20)15-8-9-19-12-16(11-17(19)10-15)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyHFMNLTVNEYUVRD-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.17
Rot. Bonds3

About propan-2-yl 2-phenylindolizine-7-carboxylate

propan-2-yl 2-phenylindolizine-7-carboxylate (PubChem CID 175803341) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is propan-2-yl 2-phenylindolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-phenylindolizine-7-carboxylate
PubChem CID175803341
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Namepropan-2-yl 2-phenylindolizine-7-carboxylate
SMILESCC(C)OC(=O)c1ccn2cc(-c3ccccc3)cc2c1
InChIInChI=1S/C18H17NO2/c1-13(2)21-18(20)15-8-9-19-12-16(11-17(19)10-15)14-6-4-3-5-7-14/h3-13H,1-2H3
InChIKeyHFMNLTVNEYUVRD-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-butylindolizine-7-carboxylate
CID 86696211
propan-2-yl 2-(4-piperazin-1-ylbutan-2-yl)indolizine-7-carboxylate
CID 174957645
propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate
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propan-2-yl 1-propan-2-ylpyrrole-3-carboxylate
CID 133060506
propan-2-yl 3-[2-(4-phenylphenoxy)propanoyloxy]benzoate
CID 17162417
1-O,2-O-dimethyl 7-O-propan-2-yl 3-benzoylindolizine-1,2,7-tricarboxylate
CID 170341547
propan-2-yl 2-bromo-6-(3-bromo-5-phenyl-2-propan-2-yloxycarbonylphenyl)-4-phenylbenzoate
CID 101421140
propan-2-yl 4-acetylbenzoate
CID 10878303
butyl 2-phenylindolizine-6-carboxylate
CID 5272720
propan-2-yl 4-[4-(1,3-dioxoisoindol-2-yl)phenyl]benzoate
CID 168517843
(2-acetamido-1-phenylethyl) imidazo[1,5-a]pyridine-7-carboxylate
CID 75497496
propan-2-yl 4-phenyldiazenylbenzoate
CID 89049072

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-phenylindolizine-7-carboxylate?
The IUPAC name of propan-2-yl 2-phenylindolizine-7-carboxylate (CID 175803341) is propan-2-yl 2-phenylindolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 2-phenylindolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 2-phenylindolizine-7-carboxylate is CC(C)OC(=O)c1ccn2cc(-c3ccccc3)cc2c1.
What is the InChIKey of propan-2-yl 2-phenylindolizine-7-carboxylate?
The InChIKey is HFMNLTVNEYUVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13(2)21-18(20)15-8-9-19-12-16(11-17(19)10-15)14-6-4-3-5-7-14/h3-13H,1-2H3.
What are the key properties of propan-2-yl 2-phenylindolizine-7-carboxylate?
propan-2-yl 2-phenylindolizine-7-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-phenylindolizine-7-carboxylate is sourced from PubChem (CID 175803341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).