propan-2-yl 3-benzyl-2-phenylindolizine-1-carboxylate

C25H23NO2 — CID 138982923

IUPACpropan-2-yl 3-benzyl-2-phenylindolizine-1-carboxylate
SMILESCC(C)OC(=O)c1c(-c2ccccc2)c(Cc2ccccc2)n2ccccc12
InChIInChI=1S/C25H23NO2/c1-18(2)28-25(27)24-21-15-9-10-16-26(21)22(17-19-11-5-3-6-12-19)23(24)20-13-7-4-8-14-20/h3-16,18H,17H2,1-2H3
InChIKeyVNAXVBGLSAJDRV-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.76
Rot. Bonds5

About propan-2-yl 3-benzyl-2-phenylindolizine-1-carboxylate

propan-2-yl 3-benzyl-2-phenylindolizine-1-carboxylate (PubChem CID 138982923) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is propan-2-yl 3-benzyl-2-phenylindolizine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-benzyl-2-phenylindolizine-1-carboxylate
PubChem CID138982923
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Namepropan-2-yl 3-benzyl-2-phenylindolizine-1-carboxylate
SMILESCC(C)OC(=O)c1c(-c2ccccc2)c(Cc2ccccc2)n2ccccc12
InChIInChI=1S/C25H23NO2/c1-18(2)28-25(27)24-21-15-9-10-16-26(21)22(17-19-11-5-3-6-12-19)23(24)20-13-7-4-8-14-20/h3-16,18H,17H2,1-2H3
InChIKeyVNAXVBGLSAJDRV-UHFFFAOYSA-N
XLogP5.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-benzyl-2-phenylindolizine-1-carboxylate?
The IUPAC name of propan-2-yl 3-benzyl-2-phenylindolizine-1-carboxylate (CID 138982923) is propan-2-yl 3-benzyl-2-phenylindolizine-1-carboxylate.
What is the SMILES notation for propan-2-yl 3-benzyl-2-phenylindolizine-1-carboxylate?
The canonical SMILES for propan-2-yl 3-benzyl-2-phenylindolizine-1-carboxylate is CC(C)OC(=O)c1c(-c2ccccc2)c(Cc2ccccc2)n2ccccc12.
What is the InChIKey of propan-2-yl 3-benzyl-2-phenylindolizine-1-carboxylate?
The InChIKey is VNAXVBGLSAJDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-18(2)28-25(27)24-21-15-9-10-16-26(21)22(17-19-11-5-3-6-12-19)23(24)20-13-7-4-8-14-20/h3-16,18H,17H2,1-2H3.
What are the key properties of propan-2-yl 3-benzyl-2-phenylindolizine-1-carboxylate?
propan-2-yl 3-benzyl-2-phenylindolizine-1-carboxylate has a molecular weight of 369.46 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-benzyl-2-phenylindolizine-1-carboxylate is sourced from PubChem (CID 138982923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).