2-cyclopropyl-8-phenylmethoxyindolizine-1-carboxylic acid

C19H17NO3 — CID 18771247

IUPAC2-cyclopropyl-8-phenylmethoxyindolizine-1-carboxylic acid
SMILESO=C(O)c1c(C2CC2)cn2cccc(OCc3ccccc3)c12
InChIInChI=1S/C19H17NO3/c21-19(22)17-15(14-8-9-14)11-20-10-4-7-16(18(17)20)23-12-13-5-2-1-3-6-13/h1-7,10-11,14H,8-9,12H2,(H,21,22)
InChIKeyGCBRCTXBXDMMGL-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.09
Rot. Bonds5

About 2-cyclopropyl-8-phenylmethoxyindolizine-1-carboxylic acid

2-cyclopropyl-8-phenylmethoxyindolizine-1-carboxylic acid (PubChem CID 18771247) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-cyclopropyl-8-phenylmethoxyindolizine-1-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-8-phenylmethoxyindolizine-1-carboxylic acid
PubChem CID18771247
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-cyclopropyl-8-phenylmethoxyindolizine-1-carboxylic acid
SMILESO=C(O)c1c(C2CC2)cn2cccc(OCc3ccccc3)c12
InChIInChI=1S/C19H17NO3/c21-19(22)17-15(14-8-9-14)11-20-10-4-7-16(18(17)20)23-12-13-5-2-1-3-6-13/h1-7,10-11,14H,8-9,12H2,(H,21,22)
InChIKeyGCBRCTXBXDMMGL-UHFFFAOYSA-N
XLogP4.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-phenylmethoxyindolizine-1-carboxylic acid?
The IUPAC name of 2-cyclopropyl-8-phenylmethoxyindolizine-1-carboxylic acid (CID 18771247) is 2-cyclopropyl-8-phenylmethoxyindolizine-1-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-8-phenylmethoxyindolizine-1-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-8-phenylmethoxyindolizine-1-carboxylic acid is O=C(O)c1c(C2CC2)cn2cccc(OCc3ccccc3)c12.
What is the InChIKey of 2-cyclopropyl-8-phenylmethoxyindolizine-1-carboxylic acid?
The InChIKey is GCBRCTXBXDMMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-19(22)17-15(14-8-9-14)11-20-10-4-7-16(18(17)20)23-12-13-5-2-1-3-6-13/h1-7,10-11,14H,8-9,12H2,(H,21,22).
What are the key properties of 2-cyclopropyl-8-phenylmethoxyindolizine-1-carboxylic acid?
2-cyclopropyl-8-phenylmethoxyindolizine-1-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-phenylmethoxyindolizine-1-carboxylic acid is sourced from PubChem (CID 18771247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).