4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one

C15H20N4O2 — CID 168656048

IUPAC4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one
SMILESCCCOc1cc(C)ccc1N1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C15H20N4O2/c1-3-6-21-14-7-11(2)4-5-13(14)19-10-12(8-15(19)20)9-17-18-16/h4-5,7,12H,3,6,8-10H2,1-2H3
InChIKeyXZBGVDFZLJGTQH-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.45
Rot. Bonds6

About 4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one

4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one (PubChem CID 168656048) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one
PubChem CID168656048
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one
SMILESCCCOc1cc(C)ccc1N1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C15H20N4O2/c1-3-6-21-14-7-11(2)4-5-13(14)19-10-12(8-15(19)20)9-17-18-16/h4-5,7,12H,3,6,8-10H2,1-2H3
InChIKeyXZBGVDFZLJGTQH-UHFFFAOYSA-N
XLogP3.45
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.45
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'}

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Related Compounds

4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one
CID 168658012
4-(azidomethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 168656468
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
ethyl 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-bromobenzoate
CID 168656094
4-(azidomethyl)-1-(2-hydroxy-3,5-dimethylphenyl)pyrrolidin-2-one
CID 168656730
4-(azidomethyl)-1-(5-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 168656752
methyl 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-3-methylbenzoate
CID 168656653
4-(azidomethyl)-1-(4-hydroxy-2,5-dimethylphenyl)pyrrolidin-2-one
CID 168656904
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-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168656711

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one (CID 168656048) is 4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one is CCCOc1cc(C)ccc1N1CC(CN=[N+]=[N-])CC1=O.
What is the InChIKey of 4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one?
The InChIKey is XZBGVDFZLJGTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-6-21-14-7-11(2)4-5-13(14)19-10-12(8-15(19)20)9-17-18-16/h4-5,7,12H,3,6,8-10H2,1-2H3.
What are the key properties of 4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one has a molecular weight of 288.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(4-methyl-2-propoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168656048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).