9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid

C15H15NO3 — CID 768661

IUPAC9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid
SMILESCCn1c2c(c3cc(C(=O)O)ccc31)CCCC2=O
InChIInChI=1S/C15H15NO3/c1-2-16-12-7-6-9(15(18)19)8-11(12)10-4-3-5-13(17)14(10)16/h6-8H,2-5H2,1H3,(H,18,19)
InChIKeyNRVYAFJBOIBMBC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.88
Rot. Bonds2

About 9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid

9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid (PubChem CID 768661) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid.

Molecular Properties

Compound Name9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid
PubChem CID768661
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid
SMILESCCn1c2c(c3cc(C(=O)O)ccc31)CCCC2=O
InChIInChI=1S/C15H15NO3/c1-2-16-12-7-6-9(15(18)19)8-11(12)10-4-3-5-13(17)14(10)16/h6-8H,2-5H2,1H3,(H,18,19)
InChIKeyNRVYAFJBOIBMBC-UHFFFAOYSA-N
XLogP2.88
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid?
The IUPAC name of 9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid (CID 768661) is 9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid.
What is the SMILES notation for 9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid?
The canonical SMILES for 9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid is CCn1c2c(c3cc(C(=O)O)ccc31)CCCC2=O.
What is the InChIKey of 9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid?
The InChIKey is NRVYAFJBOIBMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-16-12-7-6-9(15(18)19)8-11(12)10-4-3-5-13(17)14(10)16/h6-8H,2-5H2,1H3,(H,18,19).
What are the key properties of 9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid?
9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid is sourced from PubChem (CID 768661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).