4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one

C12H14N4O — CID 168656715

IUPAC4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(CN=[N+]=[N-])CC2=O)cc1
InChIInChI=1S/C12H14N4O/c1-9-2-4-11(5-3-9)16-8-10(6-12(16)17)7-14-15-13/h2-5,10H,6-8H2,1H3
InChIKeyFEZQZPWEGYALGB-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.66
Rot. Bonds3

About 4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one

4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 168656715) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID168656715
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(CN=[N+]=[N-])CC2=O)cc1
InChIInChI=1S/C12H14N4O/c1-9-2-4-11(5-3-9)16-8-10(6-12(16)17)7-14-15-13/h2-5,10H,6-8H2,1H3
InChIKeyFEZQZPWEGYALGB-UHFFFAOYSA-N
XLogP2.66
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.66
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

4-(azidomethyl)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 168655876
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide
CID 168655968
4-(azidomethyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168656677
4-(azidomethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168657747
4-(azidomethyl)-1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidin-2-one
CID 168658342
4-(azidomethyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one
CID 168657810
4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
4-(azidomethyl)-1-(4-prop-2-ynoxyphenyl)pyrrolidin-2-one
CID 168655792
4-(azidomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168656711
5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-(4-methylphenyl)pyrazole-4-carbonitrile
CID 168656714
4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one
CID 168656926

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one (CID 168656715) is 4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(CN=[N+]=[N-])CC2=O)cc1.
What is the InChIKey of 4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is FEZQZPWEGYALGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9-2-4-11(5-3-9)16-8-10(6-12(16)17)7-14-15-13/h2-5,10H,6-8H2,1H3.
What are the key properties of 4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 230.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168656715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).