9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid

C19H17NO4 — CID 59331093

IUPAC9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid
SMILESCCn1c2ccc(C(=O)O)cc2c2cc(C(=O)CC(C)=O)ccc21
InChIInChI=1S/C19H17NO4/c1-3-20-16-6-4-12(18(22)8-11(2)21)9-14(16)15-10-13(19(23)24)5-7-17(15)20/h4-7,9-10H,3,8H2,1-2H3,(H,23,24)
InChIKeyDIQPGZHBUGYLIQ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.67
Rot. Bonds5

About 9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid

9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid (PubChem CID 59331093) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid.

Molecular Properties

Compound Name9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid
PubChem CID59331093
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid
SMILESCCn1c2ccc(C(=O)O)cc2c2cc(C(=O)CC(C)=O)ccc21
InChIInChI=1S/C19H17NO4/c1-3-20-16-6-4-12(18(22)8-11(2)21)9-14(16)15-10-13(19(23)24)5-7-17(15)20/h4-7,9-10H,3,8H2,1-2H3,(H,23,24)
InChIKeyDIQPGZHBUGYLIQ-UHFFFAOYSA-N
XLogP3.67
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

9-ethylcarbazole-3-carboxylic acid
CID 4912869
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
1-ethyl-2,3-dimethylindole-5-carboxylic acid
CID 608826
9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid
CID 53342508
4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83946840
6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid
CID 10979548
[2-(6-benzoyl-9-ethylcarbazol-3-yl)-2-oxoethyl]-dimethylsulfanium
CID 59664419
9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxylic acid
CID 768661
9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946773
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
4-chloro-1-ethyl-6-iodoquinolin-2-one;4-chloro-1-ethyl-2-oxoquinoline-6-carboxylic acid
CID 157061011
9-ethylcarbazole-3-carboxylate
CID 7148416

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid?
The IUPAC name of 9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid (CID 59331093) is 9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid.
What is the SMILES notation for 9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid?
The canonical SMILES for 9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid is CCn1c2ccc(C(=O)O)cc2c2cc(C(=O)CC(C)=O)ccc21.
What is the InChIKey of 9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid?
The InChIKey is DIQPGZHBUGYLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-3-20-16-6-4-12(18(22)8-11(2)21)9-14(16)15-10-13(19(23)24)5-7-17(15)20/h4-7,9-10H,3,8H2,1-2H3,(H,23,24).
What are the key properties of 9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid?
9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid is sourced from PubChem (CID 59331093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).