6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid

C16H17NO3 — CID 84612165

IUPAC6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid
SMILESCCCn1c2c(c3cccc(C(=O)O)c31)CC(=O)CC2
InChIInChI=1S/C16H17NO3/c1-2-8-17-14-7-6-10(18)9-13(14)11-4-3-5-12(15(11)17)16(19)20/h3-5H,2,6-9H2,1H3,(H,19,20)
InChIKeyLERNBUUPAOOQCQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.81
Rot. Bonds3

About 6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid

6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid (PubChem CID 84612165) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid.

Molecular Properties

Compound Name6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid
PubChem CID84612165
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid
SMILESCCCn1c2c(c3cccc(C(=O)O)c31)CC(=O)CC2
InChIInChI=1S/C16H17NO3/c1-2-8-17-14-7-6-10(18)9-13(14)11-4-3-5-12(15(11)17)16(19)20/h3-5H,2,6-9H2,1H3,(H,19,20)
InChIKeyLERNBUUPAOOQCQ-UHFFFAOYSA-N
XLogP2.81
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[(3-methylphenyl)methyl]-6-oxo-7,8-dihydro-5H-carbazole-1-carboxylic acid
CID 84612345
9-ethyl-2,4-dihydro-1H-carbazol-3-one
CID 12026697
4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid
CID 83948271
6-tert-butyl-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
CID 83946794
methyl 6-oxo-9-propan-2-yl-7,8-dihydro-5H-carbazole-1-carboxylate
CID 84613276
6-tert-butyl-9-(3-hydroxypropyl)-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
CID 83946800
1-butyl-2,3-dimethylindole-7-carboxylic acid
CID 83963647
9-methyl-2,4-dihydro-1H-carbazol-3-one
CID 12026696
9-[(3-carboxyphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
CID 10405518
5-[(2-fluorophenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid
CID 44564616
9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid
CID 44564826
9-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
CID 10450923

Frequently Asked Questions

What is the IUPAC name of 6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid?
The IUPAC name of 6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid (CID 84612165) is 6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid.
What is the SMILES notation for 6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid?
The canonical SMILES for 6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid is CCCn1c2c(c3cccc(C(=O)O)c31)CC(=O)CC2.
What is the InChIKey of 6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid?
The InChIKey is LERNBUUPAOOQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-8-17-14-7-6-10(18)9-13(14)11-4-3-5-12(15(11)17)16(19)20/h3-5H,2,6-9H2,1H3,(H,19,20).
What are the key properties of 6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid?
6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-9-propyl-7,8-dihydro-5H-carbazole-1-carboxylic acid is sourced from PubChem (CID 84612165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).