4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one

C19H20N4O — CID 168657119

IUPAC4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H20N4O/c20-22-21-12-15-11-19(24)23(13-15)14-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2
InChIKeyRPGALCFOPKFNCD-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.98
Rot. Bonds6

About 4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one

4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one (PubChem CID 168657119) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one
PubChem CID168657119
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H20N4O/c20-22-21-12-15-11-19(24)23(13-15)14-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2
InChIKeyRPGALCFOPKFNCD-UHFFFAOYSA-N
XLogP3.98
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(azidomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168655733
1-(2-anilinoethyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657197
S-[[1-(2,2-diphenylethyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667531
4-(azidomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168657443
4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168657235
4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 168657130
4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one
CID 168657234
4-(azidomethyl)-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-2-one
CID 168656717
4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one
CID 168657382
4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168657252
4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
CID 168655705
4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168656177

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one (CID 168657119) is 4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one?
The InChIKey is RPGALCFOPKFNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-22-21-12-15-11-19(24)23(13-15)14-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2.
What are the key properties of 4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one has a molecular weight of 320.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 168657119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).