8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid

C14H15NO3 — CID 84631866

IUPAC8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
SMILESCOc1cccc2c3c([nH]c12)CCCC3C(=O)O
InChIInChI=1S/C14H15NO3/c1-18-11-7-3-4-8-12-9(14(16)17)5-2-6-10(12)15-13(8)11/h3-4,7,9,15H,2,5-6H2,1H3,(H,16,17)
InChIKeyVKXDAQSIERSZIQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.68
Rot. Bonds2

About 8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid

8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid (PubChem CID 84631866) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
PubChem CID84631866
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
SMILESCOc1cccc2c3c([nH]c12)CCCC3C(=O)O
InChIInChI=1S/C14H15NO3/c1-18-11-7-3-4-8-12-9(14(16)17)5-2-6-10(12)15-13(8)11/h3-4,7,9,15H,2,5-6H2,1H3,(H,16,17)
InChIKeyVKXDAQSIERSZIQ-UHFFFAOYSA-N
XLogP2.68
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 110667876
N-cyclopentyl-6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 110667981
9-benzyl-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 22739584
5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 10561783
5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
CID 83840191
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
1-(7-methoxy-3-methyl-1H-indol-2-yl)cyclobutane-1-carboxylic acid
CID 82665632
6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
CID 84630858
8-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxamide
CID 71221873
1-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3,3-dimethylbutan-1-one
CID 110667927
2-(8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid
CID 84741842
6,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82127851

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid?
The IUPAC name of 8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid (CID 84631866) is 8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid.
What is the SMILES notation for 8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid?
The canonical SMILES for 8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid is COc1cccc2c3c([nH]c12)CCCC3C(=O)O.
What is the InChIKey of 8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid?
The InChIKey is VKXDAQSIERSZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-18-11-7-3-4-8-12-9(14(16)17)5-2-6-10(12)15-13(8)11/h3-4,7,9,15H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid?
8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid is sourced from PubChem (CID 84631866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).