7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid

C14H13NO3 — CID 84630729

IUPAC7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid
SMILESCc1ccc2c3c([nH]c2c1)CC(C(=O)O)CC3=O
InChIInChI=1S/C14H13NO3/c1-7-2-3-9-10(4-7)15-11-5-8(14(17)18)6-12(16)13(9)11/h2-4,8,15H,5-6H2,1H3,(H,17,18)
InChIKeyJCTSWFGPOLGNLD-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.31
Rot. Bonds1

About 7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid

7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid (PubChem CID 84630729) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid.

Molecular Properties

Compound Name7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid
PubChem CID84630729
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid
SMILESCc1ccc2c3c([nH]c2c1)CC(C(=O)O)CC3=O
InChIInChI=1S/C14H13NO3/c1-7-2-3-9-10(4-7)15-11-5-8(14(17)18)6-12(16)13(9)11/h2-4,8,15H,5-6H2,1H3,(H,17,18)
InChIKeyJCTSWFGPOLGNLD-UHFFFAOYSA-N
XLogP2.31
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid?
The IUPAC name of 7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid (CID 84630729) is 7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid.
What is the SMILES notation for 7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid?
The canonical SMILES for 7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid is Cc1ccc2c3c([nH]c2c1)CC(C(=O)O)CC3=O.
What is the InChIKey of 7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid?
The InChIKey is JCTSWFGPOLGNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-7-2-3-9-10(4-7)15-11-5-8(14(17)18)6-12(16)13(9)11/h2-4,8,15H,5-6H2,1H3,(H,17,18).
What are the key properties of 7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid?
7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-1,2,3,9-tetrahydrocarbazole-2-carboxylic acid is sourced from PubChem (CID 84630729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).