4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid

C15H15NO2 — CID 11564970

IUPAC4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid
SMILESO=C(O)c1ccc(N2CCCC2)c2ccccc12
InChIInChI=1S/C15H15NO2/c17-15(18)13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h1-2,5-8H,3-4,9-10H2,(H,17,18)
InChIKeyZVWINLYKSKLYBX-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.14
Rot. Bonds2

About 4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid

4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid (PubChem CID 11564970) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid
PubChem CID11564970
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid
SMILESO=C(O)c1ccc(N2CCCC2)c2ccccc12
InChIInChI=1S/C15H15NO2/c17-15(18)13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h1-2,5-8H,3-4,9-10H2,(H,17,18)
InChIKeyZVWINLYKSKLYBX-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 118343106
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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid?
The IUPAC name of 4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid (CID 11564970) is 4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid?
The canonical SMILES for 4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid is O=C(O)c1ccc(N2CCCC2)c2ccccc12.
What is the InChIKey of 4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid?
The InChIKey is ZVWINLYKSKLYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-15(18)13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h1-2,5-8H,3-4,9-10H2,(H,17,18).
What are the key properties of 4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid?
4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 11564970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).