7-chloro-3-phenylmethoxycarbonylindolizine-1-carboxylic acid

C17H12ClNO4 — CID 174690855

IUPAC7-chloro-3-phenylmethoxycarbonylindolizine-1-carboxylic acid
SMILESO=C(O)c1cc(C(=O)OCc2ccccc2)n2ccc(Cl)cc12
InChIInChI=1S/C17H12ClNO4/c18-12-6-7-19-14(8-12)13(16(20)21)9-15(19)17(22)23-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21)
InChIKeyRJTIBHPHBGPPRX-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.65
Rot. Bonds4

About 7-chloro-3-phenylmethoxycarbonylindolizine-1-carboxylic acid

7-chloro-3-phenylmethoxycarbonylindolizine-1-carboxylic acid (PubChem CID 174690855) has the molecular formula C17H12ClNO4 and a molecular weight of 329.74 g/mol. Its IUPAC name is 7-chloro-3-phenylmethoxycarbonylindolizine-1-carboxylic acid.

Molecular Properties

Compound Name7-chloro-3-phenylmethoxycarbonylindolizine-1-carboxylic acid
PubChem CID174690855
Molecular FormulaC17H12ClNO4
Molecular Weight329.74 g/mol
Exact Mass329.05
IUPAC Name7-chloro-3-phenylmethoxycarbonylindolizine-1-carboxylic acid
SMILESO=C(O)c1cc(C(=O)OCc2ccccc2)n2ccc(Cl)cc12
InChIInChI=1S/C17H12ClNO4/c18-12-6-7-19-14(8-12)13(16(20)21)9-15(19)17(22)23-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21)
InChIKeyRJTIBHPHBGPPRX-UHFFFAOYSA-N
XLogP3.65
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-phenylmethoxycarbonylindolizine-1-carboxylic acid?
The IUPAC name of 7-chloro-3-phenylmethoxycarbonylindolizine-1-carboxylic acid (CID 174690855) is 7-chloro-3-phenylmethoxycarbonylindolizine-1-carboxylic acid.
What is the SMILES notation for 7-chloro-3-phenylmethoxycarbonylindolizine-1-carboxylic acid?
The canonical SMILES for 7-chloro-3-phenylmethoxycarbonylindolizine-1-carboxylic acid is O=C(O)c1cc(C(=O)OCc2ccccc2)n2ccc(Cl)cc12.
What is the InChIKey of 7-chloro-3-phenylmethoxycarbonylindolizine-1-carboxylic acid?
The InChIKey is RJTIBHPHBGPPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO4/c18-12-6-7-19-14(8-12)13(16(20)21)9-15(19)17(22)23-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21).
What are the key properties of 7-chloro-3-phenylmethoxycarbonylindolizine-1-carboxylic acid?
7-chloro-3-phenylmethoxycarbonylindolizine-1-carboxylic acid has a molecular weight of 329.74 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-phenylmethoxycarbonylindolizine-1-carboxylic acid is sourced from PubChem (CID 174690855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).