5-carbazol-9-ylpentanoic acid

C17H17NO2 — CID 28971834

IUPAC5-carbazol-9-ylpentanoic acid
SMILESO=C(O)CCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C17H17NO2/c19-17(20)11-5-6-12-18-15-9-3-1-7-13(15)14-8-2-4-10-16(14)18/h1-4,7-10H,5-6,11-12H2,(H,19,20)
InChIKeyYEPJVQJMLQBLOE-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.05
Rot. Bonds5

About 5-carbazol-9-ylpentanoic acid

5-carbazol-9-ylpentanoic acid (PubChem CID 28971834) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-carbazol-9-ylpentanoic acid.

Molecular Properties

Compound Name5-carbazol-9-ylpentanoic acid
PubChem CID28971834
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name5-carbazol-9-ylpentanoic acid
SMILESO=C(O)CCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C17H17NO2/c19-17(20)11-5-6-12-18-15-9-3-1-7-13(15)14-8-2-4-10-16(14)18/h1-4,7-10H,5-6,11-12H2,(H,19,20)
InChIKeyYEPJVQJMLQBLOE-UHFFFAOYSA-N
XLogP4.05
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-ylpentanoic acid?
The IUPAC name of 5-carbazol-9-ylpentanoic acid (CID 28971834) is 5-carbazol-9-ylpentanoic acid.
What is the SMILES notation for 5-carbazol-9-ylpentanoic acid?
The canonical SMILES for 5-carbazol-9-ylpentanoic acid is O=C(O)CCCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 5-carbazol-9-ylpentanoic acid?
The InChIKey is YEPJVQJMLQBLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(20)11-5-6-12-18-15-9-3-1-7-13(15)14-8-2-4-10-16(14)18/h1-4,7-10H,5-6,11-12H2,(H,19,20).
What are the key properties of 5-carbazol-9-ylpentanoic acid?
5-carbazol-9-ylpentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-ylpentanoic acid is sourced from PubChem (CID 28971834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).