2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid

C13H13NO2 — CID 69163399

IUPAC2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid
SMILESO=C(O)C1C=C2c3ccccc3NC2CC1
InChIInChI=1S/C13H13NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-4,7-8,12,14H,5-6H2,(H,15,16)
InChIKeyMJZXLCUOTCJPCQ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.36
Rot. Bonds1

About 2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid

2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid (PubChem CID 69163399) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid.

Molecular Properties

Compound Name2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid
PubChem CID69163399
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid
SMILESO=C(O)C1C=C2c3ccccc3NC2CC1
InChIInChI=1S/C13H13NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-4,7-8,12,14H,5-6H2,(H,15,16)
InChIKeyMJZXLCUOTCJPCQ-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid?
The IUPAC name of 2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid (CID 69163399) is 2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid.
What is the SMILES notation for 2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid?
The canonical SMILES for 2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid is O=C(O)C1C=C2c3ccccc3NC2CC1.
What is the InChIKey of 2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid?
The InChIKey is MJZXLCUOTCJPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-4,7-8,12,14H,5-6H2,(H,15,16).
What are the key properties of 2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid?
2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9,9a-tetrahydro-1H-carbazole-3-carboxylic acid is sourced from PubChem (CID 69163399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).