1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid

C16H15NO2 — CID 115009002

IUPAC1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cncc(-c3ccccc3)c2)CCC1
InChIInChI=1S/C16H15NO2/c18-15(19)16(7-4-8-16)14-9-13(10-17-11-14)12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,18,19)
InChIKeyFWGATNYALQFVSN-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.25
Rot. Bonds3

About 1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid

1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid (PubChem CID 115009002) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid
PubChem CID115009002
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cncc(-c3ccccc3)c2)CCC1
InChIInChI=1S/C16H15NO2/c18-15(19)16(7-4-8-16)14-9-13(10-17-11-14)12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,18,19)
InChIKeyFWGATNYALQFVSN-UHFFFAOYSA-N
XLogP3.25
TPSA50.19 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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid (CID 115009002) is 1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2cncc(-c3ccccc3)c2)CCC1.
What is the InChIKey of 1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid?
The InChIKey is FWGATNYALQFVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-15(19)16(7-4-8-16)14-9-13(10-17-11-14)12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,18,19).
What are the key properties of 1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid?
1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-3-pyridinyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115009002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).