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

C15H20N4O — CID 168656177

IUPAC4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one
SMILESCCc1ccc(CCN2CC(CN=[N+]=[N-])CC2=O)cc1
InChIInChI=1S/C15H20N4O/c1-2-12-3-5-13(6-4-12)7-8-19-11-14(9-15(19)20)10-17-18-16/h3-6,14H,2,7-11H2,1H3
InChIKeyDLXPABYYDATANF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.95
Rot. Bonds6

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

4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one (PubChem CID 168656177) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one
PubChem CID168656177
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one
SMILESCCc1ccc(CCN2CC(CN=[N+]=[N-])CC2=O)cc1
InChIInChI=1S/C15H20N4O/c1-2-12-3-5-13(6-4-12)7-8-19-11-14(9-15(19)20)10-17-18-16/h3-6,14H,2,7-11H2,1H3
InChIKeyDLXPABYYDATANF-UHFFFAOYSA-N
XLogP2.95
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.95
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672882
4-(azidomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168657235
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680902
4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168655595
4-(azidomethyl)-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one
CID 168657234
1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168655557
4-(azidomethyl)-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-2-one
CID 168656717
4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one
CID 168656366
4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168657252
4-(chloromethyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 168507981
4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one
CID 168656073
1-(2-anilinoethyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657197

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one (CID 168656177) is 4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one is CCc1ccc(CCN2CC(CN=[N+]=[N-])CC2=O)cc1.
What is the InChIKey of 4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is DLXPABYYDATANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-12-3-5-13(6-4-12)7-8-19-11-14(9-15(19)20)10-17-18-16/h3-6,14H,2,7-11H2,1H3.
What are the key properties of 4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one?
4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.95, 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-(4-ethylphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168656177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).