[2-(2-phenylethyl)phenyl]-pyrrolidin-1-ylmethanone

C19H21NO — CID 1254221

IUPAC[2-(2-phenylethyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1CCc1ccccc1)N1CCCC1
InChIInChI=1S/C19H21NO/c21-19(20-14-6-7-15-20)18-11-5-4-10-17(18)13-12-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2
InChIKeyWTDATDWOGBLXCI-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.71
Rot. Bonds4

About [2-(2-phenylethyl)phenyl]-pyrrolidin-1-ylmethanone

[2-(2-phenylethyl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 1254221) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is [2-(2-phenylethyl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-phenylethyl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID1254221
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name[2-(2-phenylethyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1CCc1ccccc1)N1CCCC1
InChIInChI=1S/C19H21NO/c21-19(20-14-6-7-15-20)18-11-5-4-10-17(18)13-12-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2
InChIKeyWTDATDWOGBLXCI-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylethyl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2-phenylethyl)phenyl]-pyrrolidin-1-ylmethanone (CID 1254221) is [2-(2-phenylethyl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2-phenylethyl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2-phenylethyl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccccc1CCc1ccccc1)N1CCCC1.
What is the InChIKey of [2-(2-phenylethyl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is WTDATDWOGBLXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-19(20-14-6-7-15-20)18-11-5-4-10-17(18)13-12-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2.
What are the key properties of [2-(2-phenylethyl)phenyl]-pyrrolidin-1-ylmethanone?
[2-(2-phenylethyl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 279.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylethyl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 1254221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).