4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one

C15H20N4O — CID 168655595

IUPAC4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
SMILESCCc1ccc(C(C)N2CC(CN=[N+]=[N-])CC2=O)cc1
InChIInChI=1S/C15H20N4O/c1-3-12-4-6-14(7-5-12)11(2)19-10-13(8-15(19)20)9-17-18-16/h4-7,11,13H,3,8-10H2,1-2H3
InChIKeyJYCHSICYGYDCIG-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.47
Rot. Bonds5

About 4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one

4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one (PubChem CID 168655595) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
PubChem CID168655595
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
SMILESCCc1ccc(C(C)N2CC(CN=[N+]=[N-])CC2=O)cc1
InChIInChI=1S/C15H20N4O/c1-3-12-4-6-14(7-5-12)11(2)19-10-13(8-15(19)20)9-17-18-16/h4-7,11,13H,3,8-10H2,1-2H3
InChIKeyJYCHSICYGYDCIG-UHFFFAOYSA-N
XLogP3.47
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.47
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

[1-[1-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672553
S-[[1-[1-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168665992
4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168656177
4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168683642
(2S)-2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-3-(4-methylphenyl)propanoic acid
CID 168655640
(2R)-2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-(4-hydroxyphenyl)acetic acid
CID 168655742
4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one
CID 168655610
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168655566
4-(azidomethyl)-1-[cyclopentyl-(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 168655659
4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
CID 168655705
4-(hydroxymethyl)-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 163594189
1-[1-(4-chlorophenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669235

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one (CID 168655595) is 4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one is CCc1ccc(C(C)N2CC(CN=[N+]=[N-])CC2=O)cc1.
What is the InChIKey of 4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is JYCHSICYGYDCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-12-4-6-14(7-5-12)11(2)19-10-13(8-15(19)20)9-17-18-16/h4-7,11,13H,3,8-10H2,1-2H3.
What are the key properties of 4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one?
4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 272.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168655595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).