6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid

C15H17NO3 — CID 84742547

IUPAC6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
SMILESCOc1ccc2[nH]c3c(c2c1)CCCC3(C)C(=O)O
InChIInChI=1S/C15H17NO3/c1-15(14(17)18)7-3-4-10-11-8-9(19-2)5-6-12(11)16-13(10)15/h5-6,8,16H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyNAHRHZHHFKVEFT-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.86
Rot. Bonds2

About 6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid

6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid (PubChem CID 84742547) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
PubChem CID84742547
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
SMILESCOc1ccc2[nH]c3c(c2c1)CCCC3(C)C(=O)O
InChIInChI=1S/C15H17NO3/c1-15(14(17)18)7-3-4-10-11-8-9(19-2)5-6-12(11)16-13(10)15/h5-6,8,16H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyNAHRHZHHFKVEFT-UHFFFAOYSA-N
XLogP2.86
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate
CID 54177477
6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
CID 17339270
(2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide
CID 134949218
cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
CID 110197664
6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
CID 65335451
2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 12673419
1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane
CID 168879430
methyl (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7055191
6-methoxy-3-methyl-1-phenyl-1,2,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
CID 141182629
12-methoxy-2-methylspiro[4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene-3,1'-cyclohexane]-5-one
CID 4912890
N-(4-acetylphenyl)-6-methoxyspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carboxamide
CID 126473227
ethyl (1S)-2-(2-chloroacetyl)-6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylate
CID 42108608

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid?
The IUPAC name of 6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid (CID 84742547) is 6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid.
What is the SMILES notation for 6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid?
The canonical SMILES for 6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid is COc1ccc2[nH]c3c(c2c1)CCCC3(C)C(=O)O.
What is the InChIKey of 6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid?
The InChIKey is NAHRHZHHFKVEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(14(17)18)7-3-4-10-11-8-9(19-2)5-6-12(11)16-13(10)15/h5-6,8,16H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid?
6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid is sourced from PubChem (CID 84742547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).