9H-carbazole;propanoic acid

C15H15NO2 — CID 68841226

IUPAC9H-carbazole;propanoic acid
SMILESCCC(=O)O.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C3H6O2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-3(4)5/h1-8,13H;2H2,1H3,(H,4,5)
InChIKeyMVPSCIQQWUSXFY-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.80
Rot. Bonds1

About 9H-carbazole;propanoic acid

9H-carbazole;propanoic acid (PubChem CID 68841226) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 9H-carbazole;propanoic acid.

Molecular Properties

Compound Name9H-carbazole;propanoic acid
PubChem CID68841226
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name9H-carbazole;propanoic acid
SMILESCCC(=O)O.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C3H6O2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-3(4)5/h1-8,13H;2H2,1H3,(H,4,5)
InChIKeyMVPSCIQQWUSXFY-UHFFFAOYSA-N
XLogP3.80
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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bis(9H-carbazole);propane
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benzoic acid;9H-carbazole
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9H-carbazole
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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;propanoic acid?
The IUPAC name of 9H-carbazole;propanoic acid (CID 68841226) is 9H-carbazole;propanoic acid.
What is the SMILES notation for 9H-carbazole;propanoic acid?
The canonical SMILES for 9H-carbazole;propanoic acid is CCC(=O)O.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;propanoic acid?
The InChIKey is MVPSCIQQWUSXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C3H6O2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-3(4)5/h1-8,13H;2H2,1H3,(H,4,5).
What are the key properties of 9H-carbazole;propanoic acid?
9H-carbazole;propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;propanoic acid is sourced from PubChem (CID 68841226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).