9-propylcarbazole-3-carboxylic acid

C16H15NO2 — CID 4125742

IUPAC9-propylcarbazole-3-carboxylic acid
SMILESCCCn1c2ccccc2c2cc(C(=O)O)ccc21
InChIInChI=1S/C16H15NO2/c1-2-9-17-14-6-4-3-5-12(14)13-10-11(16(18)19)7-8-15(13)17/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyPNXSWKKZPAEHNJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.90
Rot. Bonds3

About 9-propylcarbazole-3-carboxylic acid

9-propylcarbazole-3-carboxylic acid (PubChem CID 4125742) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 9-propylcarbazole-3-carboxylic acid.

Molecular Properties

Compound Name9-propylcarbazole-3-carboxylic acid
PubChem CID4125742
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name9-propylcarbazole-3-carboxylic acid
SMILESCCCn1c2ccccc2c2cc(C(=O)O)ccc21
InChIInChI=1S/C16H15NO2/c1-2-9-17-14-6-4-3-5-12(14)13-10-11(16(18)19)7-8-15(13)17/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyPNXSWKKZPAEHNJ-UHFFFAOYSA-N
XLogP3.90
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-propylcarbazole-3-carboxylic acid?
The IUPAC name of 9-propylcarbazole-3-carboxylic acid (CID 4125742) is 9-propylcarbazole-3-carboxylic acid.
What is the SMILES notation for 9-propylcarbazole-3-carboxylic acid?
The canonical SMILES for 9-propylcarbazole-3-carboxylic acid is CCCn1c2ccccc2c2cc(C(=O)O)ccc21.
What is the InChIKey of 9-propylcarbazole-3-carboxylic acid?
The InChIKey is PNXSWKKZPAEHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-9-17-14-6-4-3-5-12(14)13-10-11(16(18)19)7-8-15(13)17/h3-8,10H,2,9H2,1H3,(H,18,19).
What are the key properties of 9-propylcarbazole-3-carboxylic acid?
9-propylcarbazole-3-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propylcarbazole-3-carboxylic acid is sourced from PubChem (CID 4125742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).