4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one

C19H20N4O — CID 22633922

IUPAC4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(C(N=[N+]=[N-])c2ccccc2)CC1=O
InChIInChI=1S/C19H20N4O/c1-14(15-8-4-2-5-9-15)23-13-17(12-18(23)24)19(21-22-20)16-10-6-3-7-11-16/h2-11,14,17,19H,12-13H2,1H3
InChIKeyPCKUHVZZTZPIND-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.65
Rot. Bonds5

About 4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one

4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 22633922) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID22633922
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(C(N=[N+]=[N-])c2ccccc2)CC1=O
InChIInChI=1S/C19H20N4O/c1-14(15-8-4-2-5-9-15)23-13-17(12-18(23)24)19(21-22-20)16-10-6-3-7-11-16/h2-11,14,17,19H,12-13H2,1H3
InChIKeyPCKUHVZZTZPIND-UHFFFAOYSA-N
XLogP4.65
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.65
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-[(1S)-1-aminoethyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118476453
4-(1-fluoroethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 58945362
4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 66713329
4-(1-aminoethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 54042387
(4R)-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 10263949
(4R)-4-(1-hydroxy-3-methoxypropyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 58072031
2,2,2-trifluoro-N-methyl-N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]acetamide
CID 18654610
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448
(4S)-4-(bromomethyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 24813930
(4R)-4-(cyclobutanecarbonyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 21087447
tert-butyl N-[(1S)-1-[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10065360
tert-butyl N-[(1R)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethyl]carbamate
CID 10314721

Frequently Asked Questions

What is the IUPAC name of 4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one (CID 22633922) is 4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one is CC(c1ccccc1)N1CC(C(N=[N+]=[N-])c2ccccc2)CC1=O.
What is the InChIKey of 4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is PCKUHVZZTZPIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14(15-8-4-2-5-9-15)23-13-17(12-18(23)24)19(21-22-20)16-10-6-3-7-11-16/h2-11,14,17,19H,12-13H2,1H3.
What are the key properties of 4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one?
4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 320.40 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[azido(phenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 22633922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).