4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one

C18H18N4O2 — CID 168656497

IUPAC4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one
SMILESCOc1cccc(-c2ccccc2N2CC(CN=[N+]=[N-])CC2=O)c1
InChIInChI=1S/C18H18N4O2/c1-24-15-6-4-5-14(10-15)16-7-2-3-8-17(16)22-12-13(9-18(22)23)11-20-21-19/h2-8,10,13H,9,11-12H2,1H3
InChIKeyDYMRTAHBSHTDRB-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.03
Rot. Bonds5

About 4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one

4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one (PubChem CID 168656497) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one
PubChem CID168656497
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one
SMILESCOc1cccc(-c2ccccc2N2CC(CN=[N+]=[N-])CC2=O)c1
InChIInChI=1S/C18H18N4O2/c1-24-15-6-4-5-14(10-15)16-7-2-3-8-17(16)22-12-13(9-18(22)23)11-20-21-19/h2-8,10,13H,9,11-12H2,1H3
InChIKeyDYMRTAHBSHTDRB-UHFFFAOYSA-N
XLogP4.03
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.03
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-[2-(3-methoxyphenyl)phenyl]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-(2-methoxyphenyl)pyrrolidin-2-one
CID 168656468
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-methoxybenzonitrile
CID 168656424
4-(azidomethyl)-1-[2-(phenoxymethyl)phenyl]pyrrolidin-2-one
CID 168658165
4-(azidomethyl)-1-[2-(methylamino)phenyl]pyrrolidin-2-one
CID 168656259
4-(azidomethyl)-1-(2,4-dibromo-5-methoxyphenyl)pyrrolidin-2-one
CID 168656397
4-(azidomethyl)-1-(3-ethoxyphenyl)pyrrolidin-2-one
CID 168656152
4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168658001
4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one
CID 168658146
4-(azidomethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168658142
4-(azidomethyl)-1-[2-(2-hydroxyethyl)phenyl]pyrrolidin-2-one
CID 168658155
4-(azidomethyl)-1-(2-bromo-3-chlorophenyl)pyrrolidin-2-one
CID 168658393

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one (CID 168656497) is 4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one is COc1cccc(-c2ccccc2N2CC(CN=[N+]=[N-])CC2=O)c1.
What is the InChIKey of 4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one?
The InChIKey is DYMRTAHBSHTDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-15-6-4-5-14(10-15)16-7-2-3-8-17(16)22-12-13(9-18(22)23)11-20-21-19/h2-8,10,13H,9,11-12H2,1H3.
What are the key properties of 4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one?
4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one has a molecular weight of 322.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[2-(3-methoxyphenyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168656497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).