(2-phenylphenyl)-pyrrolidin-1-ylmethanone

C17H17NO — CID 976217

IUPAC(2-phenylphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CCCC1
InChIInChI=1S/C17H17NO/c19-17(18-12-6-7-13-18)16-11-5-4-10-15(16)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2
InChIKeyVVWNLFVAGHVRLA-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.59
Rot. Bonds2

About (2-phenylphenyl)-pyrrolidin-1-ylmethanone

(2-phenylphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 976217) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (2-phenylphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-phenylphenyl)-pyrrolidin-1-ylmethanone
PubChem CID976217
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(2-phenylphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CCCC1
InChIInChI=1S/C17H17NO/c19-17(18-12-6-7-13-18)16-11-5-4-10-15(16)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2
InChIKeyVVWNLFVAGHVRLA-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-phenylphenyl)-pyrrolidin-1-ylmethanone (CID 976217) is (2-phenylphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-phenylphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-phenylphenyl)-pyrrolidin-1-ylmethanone is O=C(c1ccccc1-c1ccccc1)N1CCCC1.
What is the InChIKey of (2-phenylphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is VVWNLFVAGHVRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17(18-12-6-7-13-18)16-11-5-4-10-15(16)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2.
What are the key properties of (2-phenylphenyl)-pyrrolidin-1-ylmethanone?
(2-phenylphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 251.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 976217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).