6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid

C13H13NO2 — CID 19599427

IUPAC6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid
SMILESO=C(O)c1c2n(c3ccccc13)CCCC2
InChIInChI=1S/C13H13NO2/c15-13(16)12-9-5-1-2-6-10(9)14-8-4-3-7-11(12)14/h1-2,5-6H,3-4,7-8H2,(H,15,16)
InChIKeyJRWWQVUFPAVLGO-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.68
Rot. Bonds1

About 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid

6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid (PubChem CID 19599427) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid.

Molecular Properties

Compound Name6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid
PubChem CID19599427
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid
SMILESO=C(O)c1c2n(c3ccccc13)CCCC2
InChIInChI=1S/C13H13NO2/c15-13(16)12-9-5-1-2-6-10(9)14-8-4-3-7-11(12)14/h1-2,5-6H,3-4,7-8H2,(H,15,16)
InChIKeyJRWWQVUFPAVLGO-UHFFFAOYSA-N
XLogP2.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid?
The IUPAC name of 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid (CID 19599427) is 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid.
What is the SMILES notation for 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid?
The canonical SMILES for 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid is O=C(O)c1c2n(c3ccccc13)CCCC2.
What is the InChIKey of 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid?
The InChIKey is JRWWQVUFPAVLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-13(16)12-9-5-1-2-6-10(9)14-8-4-3-7-11(12)14/h1-2,5-6H,3-4,7-8H2,(H,15,16).
What are the key properties of 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid?
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carboxylic acid is sourced from PubChem (CID 19599427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).