1-(1,5-diphenylpyrrolidin-3-yl)ethanone

C18H19NO — CID 13123263

IUPAC1-(1,5-diphenylpyrrolidin-3-yl)ethanone
SMILESCC(=O)C1CC(c2ccccc2)N(c2ccccc2)C1
InChIInChI=1S/C18H19NO/c1-14(20)16-12-18(15-8-4-2-5-9-15)19(13-16)17-10-6-3-7-11-17/h2-11,16,18H,12-13H2,1H3
InChIKeyQVLBUGBLBAGUKF-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.84
Rot. Bonds3

About 1-(1,5-diphenylpyrrolidin-3-yl)ethanone

1-(1,5-diphenylpyrrolidin-3-yl)ethanone (PubChem CID 13123263) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(1,5-diphenylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1,5-diphenylpyrrolidin-3-yl)ethanone
PubChem CID13123263
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-(1,5-diphenylpyrrolidin-3-yl)ethanone
SMILESCC(=O)C1CC(c2ccccc2)N(c2ccccc2)C1
InChIInChI=1S/C18H19NO/c1-14(20)16-12-18(15-8-4-2-5-9-15)19(13-16)17-10-6-3-7-11-17/h2-11,16,18H,12-13H2,1H3
InChIKeyQVLBUGBLBAGUKF-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-diphenylpyrrolidin-3-yl)ethanone?
The IUPAC name of 1-(1,5-diphenylpyrrolidin-3-yl)ethanone (CID 13123263) is 1-(1,5-diphenylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 1-(1,5-diphenylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 1-(1,5-diphenylpyrrolidin-3-yl)ethanone is CC(=O)C1CC(c2ccccc2)N(c2ccccc2)C1.
What is the InChIKey of 1-(1,5-diphenylpyrrolidin-3-yl)ethanone?
The InChIKey is QVLBUGBLBAGUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14(20)16-12-18(15-8-4-2-5-9-15)19(13-16)17-10-6-3-7-11-17/h2-11,16,18H,12-13H2,1H3.
What are the key properties of 1-(1,5-diphenylpyrrolidin-3-yl)ethanone?
1-(1,5-diphenylpyrrolidin-3-yl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-diphenylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 13123263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).