4,4-dibenzylpyrrolidin-2-one

C18H19NO — CID 66107814

IUPAC4,4-dibenzylpyrrolidin-2-one
SMILESO=C1CC(Cc2ccccc2)(Cc2ccccc2)CN1
InChIInChI=1S/C18H19NO/c20-17-13-18(14-19-17,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,20)
InChIKeyRWVSKAZARHHHQR-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.98
Rot. Bonds4

About 4,4-dibenzylpyrrolidin-2-one

4,4-dibenzylpyrrolidin-2-one (PubChem CID 66107814) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4,4-dibenzylpyrrolidin-2-one.

Molecular Properties

Compound Name4,4-dibenzylpyrrolidin-2-one
PubChem CID66107814
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4,4-dibenzylpyrrolidin-2-one
SMILESO=C1CC(Cc2ccccc2)(Cc2ccccc2)CN1
InChIInChI=1S/C18H19NO/c20-17-13-18(14-19-17,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,20)
InChIKeyRWVSKAZARHHHQR-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dibenzylpyrrolidin-2-one?
The IUPAC name of 4,4-dibenzylpyrrolidin-2-one (CID 66107814) is 4,4-dibenzylpyrrolidin-2-one.
What is the SMILES notation for 4,4-dibenzylpyrrolidin-2-one?
The canonical SMILES for 4,4-dibenzylpyrrolidin-2-one is O=C1CC(Cc2ccccc2)(Cc2ccccc2)CN1.
What is the InChIKey of 4,4-dibenzylpyrrolidin-2-one?
The InChIKey is RWVSKAZARHHHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-17-13-18(14-19-17,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,20).
What are the key properties of 4,4-dibenzylpyrrolidin-2-one?
4,4-dibenzylpyrrolidin-2-one has a molecular weight of 265.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibenzylpyrrolidin-2-one is sourced from PubChem (CID 66107814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).