6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid

C15H17NO2 — CID 10332026

IUPAC6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid
SMILESCC1Cc2[nH]c3cc(C(=O)O)ccc3c2CC1C
InChIInChI=1S/C15H17NO2/c1-8-5-12-11-4-3-10(15(17)18)7-14(11)16-13(12)6-9(8)2/h3-4,7-9,16H,5-6H2,1-2H3,(H,17,18)
InChIKeyVONLIXLMCMEQIK-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.24
Rot. Bonds1

About 6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid

6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid (PubChem CID 10332026) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid
PubChem CID10332026
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid
SMILESCC1Cc2[nH]c3cc(C(=O)O)ccc3c2CC1C
InChIInChI=1S/C15H17NO2/c1-8-5-12-11-4-3-10(15(17)18)7-14(11)16-13(12)6-9(8)2/h3-4,7-9,16H,5-6H2,1-2H3,(H,17,18)
InChIKeyVONLIXLMCMEQIK-UHFFFAOYSA-N
XLogP3.24
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,7-diphenyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid
CID 10316895
3-acetyl-2-methyl-1H-indole-6-carboxylic acid
CID 105470655
2-oxo-4-propan-2-yl-1H-quinoline-7-carboxylic acid
CID 134357859
(6S)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
CID 95426173
6,6-dimethyl-5-octyl-5,7,8,9-tetrahydrocarbazole-2-carboxylic acid
CID 19384522
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylic acid
CID 83886993
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
3-methyl-2-propan-2-yl-9H-pyrido[3,4-b]indol-2-ium-7-carboxylic acid
CID 123187302
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097133
ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
CID 12891788
3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580618

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid?
The IUPAC name of 6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid (CID 10332026) is 6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid.
What is the SMILES notation for 6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid?
The canonical SMILES for 6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid is CC1Cc2[nH]c3cc(C(=O)O)ccc3c2CC1C.
What is the InChIKey of 6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid?
The InChIKey is VONLIXLMCMEQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-8-5-12-11-4-3-10(15(17)18)7-14(11)16-13(12)6-9(8)2/h3-4,7-9,16H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid?
6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylic acid is sourced from PubChem (CID 10332026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).