1-(5-azidopentyl)-4-ethenyl-4-methylazetidin-2-one

C11H18N4O — CID 549328

IUPAC1-(5-azidopentyl)-4-ethenyl-4-methylazetidin-2-one
SMILESC=CC1(C)CC(=O)N1CCCCCN=[N+]=[N-]
InChIInChI=1S/C11H18N4O/c1-3-11(2)9-10(16)15(11)8-6-4-5-7-13-14-12/h3H,1,4-9H2,2H3
InChIKeyARXFHQLMRCJANZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.64
Rot. Bonds7

About 1-(5-azidopentyl)-4-ethenyl-4-methylazetidin-2-one

1-(5-azidopentyl)-4-ethenyl-4-methylazetidin-2-one (PubChem CID 549328) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(5-azidopentyl)-4-ethenyl-4-methylazetidin-2-one.

Molecular Properties

Compound Name1-(5-azidopentyl)-4-ethenyl-4-methylazetidin-2-one
PubChem CID549328
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(5-azidopentyl)-4-ethenyl-4-methylazetidin-2-one
SMILESC=CC1(C)CC(=O)N1CCCCCN=[N+]=[N-]
InChIInChI=1S/C11H18N4O/c1-3-11(2)9-10(16)15(11)8-6-4-5-7-13-14-12/h3H,1,4-9H2,2H3
InChIKeyARXFHQLMRCJANZ-UHFFFAOYSA-N
XLogP2.64
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-azidopentyl)-4-ethenyl-4-methylazetidin-2-one?
The IUPAC name of 1-(5-azidopentyl)-4-ethenyl-4-methylazetidin-2-one (CID 549328) is 1-(5-azidopentyl)-4-ethenyl-4-methylazetidin-2-one.
What is the SMILES notation for 1-(5-azidopentyl)-4-ethenyl-4-methylazetidin-2-one?
The canonical SMILES for 1-(5-azidopentyl)-4-ethenyl-4-methylazetidin-2-one is C=CC1(C)CC(=O)N1CCCCCN=[N+]=[N-].
What is the InChIKey of 1-(5-azidopentyl)-4-ethenyl-4-methylazetidin-2-one?
The InChIKey is ARXFHQLMRCJANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-11(2)9-10(16)15(11)8-6-4-5-7-13-14-12/h3H,1,4-9H2,2H3.
What are the key properties of 1-(5-azidopentyl)-4-ethenyl-4-methylazetidin-2-one?
1-(5-azidopentyl)-4-ethenyl-4-methylazetidin-2-one has a molecular weight of 222.29 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azidopentyl)-4-ethenyl-4-methylazetidin-2-one is sourced from PubChem (CID 549328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).