5-formyl-9-propan-2-ylcarbazole-2-carboxylic acid

C17H15NO3 — CID 86259643

IUPAC5-formyl-9-propan-2-ylcarbazole-2-carboxylic acid
SMILESCC(C)n1c2cc(C(=O)O)ccc2c2c(C=O)cccc21
InChIInChI=1S/C17H15NO3/c1-10(2)18-14-5-3-4-12(9-19)16(14)13-7-6-11(17(20)21)8-15(13)18/h3-10H,1-2H3,(H,20,21)
InChIKeyQAXOZLMTGQNKAE-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.89
Rot. Bonds3

About 5-formyl-9-propan-2-ylcarbazole-2-carboxylic acid

5-formyl-9-propan-2-ylcarbazole-2-carboxylic acid (PubChem CID 86259643) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-formyl-9-propan-2-ylcarbazole-2-carboxylic acid.

Molecular Properties

Compound Name5-formyl-9-propan-2-ylcarbazole-2-carboxylic acid
PubChem CID86259643
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name5-formyl-9-propan-2-ylcarbazole-2-carboxylic acid
SMILESCC(C)n1c2cc(C(=O)O)ccc2c2c(C=O)cccc21
InChIInChI=1S/C17H15NO3/c1-10(2)18-14-5-3-4-12(9-19)16(14)13-7-6-11(17(20)21)8-15(13)18/h3-10H,1-2H3,(H,20,21)
InChIKeyQAXOZLMTGQNKAE-UHFFFAOYSA-N
XLogP3.89
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 82791370
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CID 83944287
3-methyl-1-propan-2-ylindazole-6-carboxylic acid
CID 84724341
3-formylbenzoic acid;methanol
CID 142242456
3,5-dinitrobenzoic acid;9-propan-2-ylcarbazole
CID 139057652
tris(benzene-1,3-dicarboxylic acid);terephthalic acid
CID 173416793
sodium;3-formyl-4-propan-2-yloxybenzoic acid;methyl 3-formyl-4-propan-2-yloxybenzoate;hydroxide
CID 159706911
4-methylbenzene-1,3-dicarboxylic acid;naphthalene-1-carbaldehyde
CID 161450660
2-(ethylsulfonylmethyl)-1-propan-2-ylindole-6-carboxylic acid
CID 117180896
3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid
CID 134346877
4-formylindole-1-carboxylic acid
CID 141214524
1-benzoylindole-4-carbaldehyde
CID 18973532

Frequently Asked Questions

What is the IUPAC name of 5-formyl-9-propan-2-ylcarbazole-2-carboxylic acid?
The IUPAC name of 5-formyl-9-propan-2-ylcarbazole-2-carboxylic acid (CID 86259643) is 5-formyl-9-propan-2-ylcarbazole-2-carboxylic acid.
What is the SMILES notation for 5-formyl-9-propan-2-ylcarbazole-2-carboxylic acid?
The canonical SMILES for 5-formyl-9-propan-2-ylcarbazole-2-carboxylic acid is CC(C)n1c2cc(C(=O)O)ccc2c2c(C=O)cccc21.
What is the InChIKey of 5-formyl-9-propan-2-ylcarbazole-2-carboxylic acid?
The InChIKey is QAXOZLMTGQNKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-10(2)18-14-5-3-4-12(9-19)16(14)13-7-6-11(17(20)21)8-15(13)18/h3-10H,1-2H3,(H,20,21).
What are the key properties of 5-formyl-9-propan-2-ylcarbazole-2-carboxylic acid?
5-formyl-9-propan-2-ylcarbazole-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-9-propan-2-ylcarbazole-2-carboxylic acid is sourced from PubChem (CID 86259643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).