1-(benzhydrylideneamino)pyrrolidin-2-one

C17H16N2O — CID 13017099

IUPAC1-(benzhydrylideneamino)pyrrolidin-2-one
SMILESO=C1CCCN1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16N2O/c20-16-12-7-13-19(16)18-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyFUTKYPVWTIJNDA-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.06
Rot. Bonds3

About 1-(benzhydrylideneamino)pyrrolidin-2-one

1-(benzhydrylideneamino)pyrrolidin-2-one (PubChem CID 13017099) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(benzhydrylideneamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(benzhydrylideneamino)pyrrolidin-2-one
PubChem CID13017099
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-(benzhydrylideneamino)pyrrolidin-2-one
SMILESO=C1CCCN1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16N2O/c20-16-12-7-13-19(16)18-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyFUTKYPVWTIJNDA-UHFFFAOYSA-N
XLogP3.06
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(benzhydrylideneamino)pyrrolidin-2-one?
The IUPAC name of 1-(benzhydrylideneamino)pyrrolidin-2-one (CID 13017099) is 1-(benzhydrylideneamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(benzhydrylideneamino)pyrrolidin-2-one?
The canonical SMILES for 1-(benzhydrylideneamino)pyrrolidin-2-one is O=C1CCCN1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(benzhydrylideneamino)pyrrolidin-2-one?
The InChIKey is FUTKYPVWTIJNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c20-16-12-7-13-19(16)18-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2.
What are the key properties of 1-(benzhydrylideneamino)pyrrolidin-2-one?
1-(benzhydrylideneamino)pyrrolidin-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzhydrylideneamino)pyrrolidin-2-one is sourced from PubChem (CID 13017099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).