4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one

C13H16N4O2 — CID 168656152

IUPAC4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one
SMILESCCOc1cccc(N2CC(CN=[N+]=[N-])CC2=O)c1
InChIInChI=1S/C13H16N4O2/c1-2-19-12-5-3-4-11(7-12)17-9-10(6-13(17)18)8-15-16-14/h3-5,7,10H,2,6,8-9H2,1H3
InChIKeyUFNAKTWQFLREHZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.75
Rot. Bonds5

About 4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one

4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one (PubChem CID 168656152) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one
PubChem CID168656152
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one
SMILESCCOc1cccc(N2CC(CN=[N+]=[N-])CC2=O)c1
InChIInChI=1S/C13H16N4O2/c1-2-19-12-5-3-4-11(7-12)17-9-10(6-13(17)18)8-15-16-14/h3-5,7,10H,2,6,8-9H2,1H3
InChIKeyUFNAKTWQFLREHZ-UHFFFAOYSA-N
XLogP2.75
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-ethoxyphenyl)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

4-(azidomethyl)-1-[3-(difluoromethoxy)phenyl]pyrrolidin-2-one
CID 168658431
[3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]boronic acid
CID 168658361
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-(azidomethyl)-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168658386
4-(azidomethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168657747
4-(azidomethyl)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 168655876
4-(azidomethyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-2-one
CID 168658246
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717122
4-(azidomethyl)-1-(4-prop-2-ynoxyphenyl)pyrrolidin-2-one
CID 168655792
4-(azidomethyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168656677
4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one
CID 168656497

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one (CID 168656152) is 4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one is CCOc1cccc(N2CC(CN=[N+]=[N-])CC2=O)c1.
What is the InChIKey of 4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one?
The InChIKey is UFNAKTWQFLREHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-19-12-5-3-4-11(7-12)17-9-10(6-13(17)18)8-15-16-14/h3-5,7,10H,2,6,8-9H2,1H3.
What are the key properties of 4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one has a molecular weight of 260.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168656152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).