1-(4-azidophenyl)-5-methylpyrrolidin-2-one

C11H12N4O — CID 169324843

IUPAC1-(4-azidophenyl)-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C11H12N4O/c1-8-2-7-11(16)15(8)10-5-3-9(4-6-10)13-14-12/h3-6,8H,2,7H2,1H3
InChIKeyCZXLRTHNZJOOQH-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.14
Rot. Bonds2

About 1-(4-azidophenyl)-5-methylpyrrolidin-2-one

1-(4-azidophenyl)-5-methylpyrrolidin-2-one (PubChem CID 169324843) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(4-azidophenyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-azidophenyl)-5-methylpyrrolidin-2-one
PubChem CID169324843
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-(4-azidophenyl)-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C11H12N4O/c1-8-2-7-11(16)15(8)10-5-3-9(4-6-10)13-14-12/h3-6,8H,2,7H2,1H3
InChIKeyCZXLRTHNZJOOQH-UHFFFAOYSA-N
XLogP3.14
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-azidophenyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 1-(4-azidophenyl)-5-methylpyrrolidin-2-one (CID 169324843) is 1-(4-azidophenyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-azidophenyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-(4-azidophenyl)-5-methylpyrrolidin-2-one is CC1CCC(=O)N1c1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of 1-(4-azidophenyl)-5-methylpyrrolidin-2-one?
The InChIKey is CZXLRTHNZJOOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-2-7-11(16)15(8)10-5-3-9(4-6-10)13-14-12/h3-6,8H,2,7H2,1H3.
What are the key properties of 1-(4-azidophenyl)-5-methylpyrrolidin-2-one?
1-(4-azidophenyl)-5-methylpyrrolidin-2-one has a molecular weight of 216.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-azidophenyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 169324843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).