1-(1-acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one

C22H25NO2 — CID 70694191

IUPAC1-(1-acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one
SMILESCC(=O)N1CCCC1(Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C22H25NO2/c1-18(24)23-16-8-15-22(23,17-20-11-6-3-7-12-20)21(25)14-13-19-9-4-2-5-10-19/h2-7,9-12H,8,13-17H2,1H3
InChIKeyRJCQPOIUXHTRQG-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.81
Rot. Bonds6

About 1-(1-acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one

1-(1-acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one (PubChem CID 70694191) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(1-acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(1-acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one
PubChem CID70694191
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name1-(1-acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one
SMILESCC(=O)N1CCCC1(Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C22H25NO2/c1-18(24)23-16-8-15-22(23,17-20-11-6-3-7-12-20)21(25)14-13-19-9-4-2-5-10-19/h2-7,9-12H,8,13-17H2,1H3
InChIKeyRJCQPOIUXHTRQG-UHFFFAOYSA-N
XLogP3.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(1-acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one (CID 70694191) is 1-(1-acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(1-acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(1-acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one is CC(=O)N1CCCC1(Cc1ccccc1)C(=O)CCc1ccccc1.
What is the InChIKey of 1-(1-acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one?
The InChIKey is RJCQPOIUXHTRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-18(24)23-16-8-15-22(23,17-20-11-6-3-7-12-20)21(25)14-13-19-9-4-2-5-10-19/h2-7,9-12H,8,13-17H2,1H3.
What are the key properties of 1-(1-acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one?
1-(1-acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one has a molecular weight of 335.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2-benzylpyrrolidin-2-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 70694191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).