5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid

C16H17NO3 — CID 71276444

IUPAC5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid
SMILESCC1CC(C)(C)c2c([nH]c3ccc(C(=O)O)cc23)C1=O
InChIInChI=1S/C16H17NO3/c1-8-7-16(2,3)12-10-6-9(15(19)20)4-5-11(10)17-13(12)14(8)18/h4-6,8,17H,7H2,1-3H3,(H,19,20)
InChIKeyBYPKHTDDRNBEHS-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.37
Rot. Bonds1

About 5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid

5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid (PubChem CID 71276444) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid.

Molecular Properties

Compound Name5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid
PubChem CID71276444
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid
SMILESCC1CC(C)(C)c2c([nH]c3ccc(C(=O)O)cc23)C1=O
InChIInChI=1S/C16H17NO3/c1-8-7-16(2,3)12-10-6-9(15(19)20)4-5-11(10)17-13(12)14(8)18/h4-6,8,17H,7H2,1-3H3,(H,19,20)
InChIKeyBYPKHTDDRNBEHS-UHFFFAOYSA-N
XLogP3.37
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid?
The IUPAC name of 5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid (CID 71276444) is 5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid.
What is the SMILES notation for 5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid?
The canonical SMILES for 5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid is CC1CC(C)(C)c2c([nH]c3ccc(C(=O)O)cc23)C1=O.
What is the InChIKey of 5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid?
The InChIKey is BYPKHTDDRNBEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-8-7-16(2,3)12-10-6-9(15(19)20)4-5-11(10)17-13(12)14(8)18/h4-6,8,17H,7H2,1-3H3,(H,19,20).
What are the key properties of 5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid?
5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid is sourced from PubChem (CID 71276444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).