3-naphthalen-1-yl-3-pyrrol-1-ylpropanoic acid

C17H15NO2 — CID 5194034

IUPAC3-naphthalen-1-yl-3-pyrrol-1-ylpropanoic acid
SMILESO=C(O)CC(c1cccc2ccccc12)n1cccc1
InChIInChI=1S/C17H15NO2/c19-17(20)12-16(18-10-3-4-11-18)15-9-5-7-13-6-1-2-8-14(13)15/h1-11,16H,12H2,(H,19,20)
InChIKeyWPHZWPLPYKHTTE-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.71
Rot. Bonds4

About 3-naphthalen-1-yl-3-pyrrol-1-ylpropanoic acid

3-naphthalen-1-yl-3-pyrrol-1-ylpropanoic acid (PubChem CID 5194034) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-naphthalen-1-yl-3-pyrrol-1-ylpropanoic acid.

Molecular Properties

Compound Name3-naphthalen-1-yl-3-pyrrol-1-ylpropanoic acid
PubChem CID5194034
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-naphthalen-1-yl-3-pyrrol-1-ylpropanoic acid
SMILESO=C(O)CC(c1cccc2ccccc12)n1cccc1
InChIInChI=1S/C17H15NO2/c19-17(20)12-16(18-10-3-4-11-18)15-9-5-7-13-6-1-2-8-14(13)15/h1-11,16H,12H2,(H,19,20)
InChIKeyWPHZWPLPYKHTTE-UHFFFAOYSA-N
XLogP3.71
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-3-pyrrol-1-ylpropanoic acid?
The IUPAC name of 3-naphthalen-1-yl-3-pyrrol-1-ylpropanoic acid (CID 5194034) is 3-naphthalen-1-yl-3-pyrrol-1-ylpropanoic acid.
What is the SMILES notation for 3-naphthalen-1-yl-3-pyrrol-1-ylpropanoic acid?
The canonical SMILES for 3-naphthalen-1-yl-3-pyrrol-1-ylpropanoic acid is O=C(O)CC(c1cccc2ccccc12)n1cccc1.
What is the InChIKey of 3-naphthalen-1-yl-3-pyrrol-1-ylpropanoic acid?
The InChIKey is WPHZWPLPYKHTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(20)12-16(18-10-3-4-11-18)15-9-5-7-13-6-1-2-8-14(13)15/h1-11,16H,12H2,(H,19,20).
What are the key properties of 3-naphthalen-1-yl-3-pyrrol-1-ylpropanoic acid?
3-naphthalen-1-yl-3-pyrrol-1-ylpropanoic acid has a molecular weight of 265.31 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-3-pyrrol-1-ylpropanoic acid is sourced from PubChem (CID 5194034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).