3-(dibenzylamino)pyrrolidin-2-one

C18H20N2O — CID 85390185

IUPAC3-(dibenzylamino)pyrrolidin-2-one
SMILESO=C1NCCC1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20N2O/c21-18-17(11-12-19-18)20(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,19,21)
InChIKeyMTHOAZGOLXISIQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.58
Rot. Bonds5

About 3-(dibenzylamino)pyrrolidin-2-one

3-(dibenzylamino)pyrrolidin-2-one (PubChem CID 85390185) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(dibenzylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(dibenzylamino)pyrrolidin-2-one
PubChem CID85390185
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-(dibenzylamino)pyrrolidin-2-one
SMILESO=C1NCCC1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20N2O/c21-18-17(11-12-19-18)20(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,19,21)
InChIKeyMTHOAZGOLXISIQ-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dibenzylamino)pyrrolidin-2-one?
The IUPAC name of 3-(dibenzylamino)pyrrolidin-2-one (CID 85390185) is 3-(dibenzylamino)pyrrolidin-2-one.
What is the SMILES notation for 3-(dibenzylamino)pyrrolidin-2-one?
The canonical SMILES for 3-(dibenzylamino)pyrrolidin-2-one is O=C1NCCC1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-(dibenzylamino)pyrrolidin-2-one?
The InChIKey is MTHOAZGOLXISIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18-17(11-12-19-18)20(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,19,21).
What are the key properties of 3-(dibenzylamino)pyrrolidin-2-one?
3-(dibenzylamino)pyrrolidin-2-one has a molecular weight of 280.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzylamino)pyrrolidin-2-one is sourced from PubChem (CID 85390185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).