1-cyanoindolizine-3-carboxylic acid

C10H6N2O2 — CID 10888656

IUPAC1-cyanoindolizine-3-carboxylic acid
SMILESN#Cc1cc(C(=O)O)n2ccccc12
InChIInChI=1S/C10H6N2O2/c11-6-7-5-9(10(13)14)12-4-2-1-3-8(7)12/h1-5H,(H,13,14)
InChIKeyYCISQSLRXHKTCU-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.51
Rot. Bonds1

About 1-cyanoindolizine-3-carboxylic acid

1-cyanoindolizine-3-carboxylic acid (PubChem CID 10888656) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 1-cyanoindolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyanoindolizine-3-carboxylic acid
PubChem CID10888656
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Name1-cyanoindolizine-3-carboxylic acid
SMILESN#Cc1cc(C(=O)O)n2ccccc12
InChIInChI=1S/C10H6N2O2/c11-6-7-5-9(10(13)14)12-4-2-1-3-8(7)12/h1-5H,(H,13,14)
InChIKeyYCISQSLRXHKTCU-UHFFFAOYSA-N
XLogP1.51
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyanoindolizine-3-carboxylic acid?
The IUPAC name of 1-cyanoindolizine-3-carboxylic acid (CID 10888656) is 1-cyanoindolizine-3-carboxylic acid.
What is the SMILES notation for 1-cyanoindolizine-3-carboxylic acid?
The canonical SMILES for 1-cyanoindolizine-3-carboxylic acid is N#Cc1cc(C(=O)O)n2ccccc12.
What is the InChIKey of 1-cyanoindolizine-3-carboxylic acid?
The InChIKey is YCISQSLRXHKTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c11-6-7-5-9(10(13)14)12-4-2-1-3-8(7)12/h1-5H,(H,13,14).
What are the key properties of 1-cyanoindolizine-3-carboxylic acid?
1-cyanoindolizine-3-carboxylic acid has a molecular weight of 186.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanoindolizine-3-carboxylic acid is sourced from PubChem (CID 10888656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).