1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one

C15H21NO — CID 79546481

IUPAC1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1CCc1ccccc1
InChIInChI=1S/C15H21NO/c1-13(17)12-15-8-5-10-16(15)11-9-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3
InChIKeyLHYIDOXOYMOOCJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.67
Rot. Bonds5

About 1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one

1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 79546481) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
PubChem CID79546481
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1CCc1ccccc1
InChIInChI=1S/C15H21NO/c1-13(17)12-15-8-5-10-16(15)11-9-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3
InChIKeyLHYIDOXOYMOOCJ-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one (CID 79546481) is 1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1CCc1ccccc1.
What is the InChIKey of 1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is LHYIDOXOYMOOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-13(17)12-15-8-5-10-16(15)11-9-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3.
What are the key properties of 1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 231.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79546481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).