9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid

C16H19NO2 — CID 83946773

IUPAC9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
SMILESCCn1c2c(c3cc(C(=O)O)ccc31)CC(C)CC2
InChIInChI=1S/C16H19NO2/c1-3-17-14-6-4-10(2)8-12(14)13-9-11(16(18)19)5-7-15(13)17/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,18,19)
InChIKeyXCHQHGFVNOUYDJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.48
Rot. Bonds2

About 9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid

9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid (PubChem CID 83946773) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid.

Molecular Properties

Compound Name9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
PubChem CID83946773
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
SMILESCCn1c2c(c3cc(C(=O)O)ccc31)CC(C)CC2
InChIInChI=1S/C16H19NO2/c1-3-17-14-6-4-10(2)8-12(14)13-9-11(16(18)19)5-7-15(13)17/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,18,19)
InChIKeyXCHQHGFVNOUYDJ-UHFFFAOYSA-N
XLogP3.48
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-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

Related Compounds

9-(carboxymethyl)-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83948261
6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 84612353
4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83946840
9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 82121618
1-ethyl-2,3-dimethylindole-5-carboxylic acid
CID 608826
9-ethylcarbazole-3-carboxylic acid
CID 4912869
9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid
CID 768661
9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946769
(9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone
CID 84613151
5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
CID 83946538
acetylene;[2-(cyclopropylmethyl)-5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
CID 143296378
4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83948273

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
The IUPAC name of 9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid (CID 83946773) is 9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid.
What is the SMILES notation for 9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
The canonical SMILES for 9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid is CCn1c2c(c3cc(C(=O)O)ccc31)CC(C)CC2.
What is the InChIKey of 9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
The InChIKey is XCHQHGFVNOUYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-17-14-6-4-10(2)8-12(14)13-9-11(16(18)19)5-7-15(13)17/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,18,19).
What are the key properties of 9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid is sourced from PubChem (CID 83946773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).