3-(azidomethyl)-1-cyclobutylpyridin-2-one

C10H12N4O — CID 178075172

IUPAC3-(azidomethyl)-1-cyclobutylpyridin-2-one
SMILES[N-]=[N+]=NCc1cccn(C2CCC2)c1=O
InChIInChI=1S/C10H12N4O/c11-13-12-7-8-3-2-6-14(10(8)15)9-4-1-5-9/h2-3,6,9H,1,4-5,7H2
InChIKeyCRGSRDNBDOCDEF-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.38
Rot. Bonds3

About 3-(azidomethyl)-1-cyclobutylpyridin-2-one

3-(azidomethyl)-1-cyclobutylpyridin-2-one (PubChem CID 178075172) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(azidomethyl)-1-cyclobutylpyridin-2-one.

Molecular Properties

Compound Name3-(azidomethyl)-1-cyclobutylpyridin-2-one
PubChem CID178075172
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-(azidomethyl)-1-cyclobutylpyridin-2-one
SMILES[N-]=[N+]=NCc1cccn(C2CCC2)c1=O
InChIInChI=1S/C10H12N4O/c11-13-12-7-8-3-2-6-14(10(8)15)9-4-1-5-9/h2-3,6,9H,1,4-5,7H2
InChIKeyCRGSRDNBDOCDEF-UHFFFAOYSA-N
XLogP2.38
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-1-cyclobutylpyridin-2-one?
The IUPAC name of 3-(azidomethyl)-1-cyclobutylpyridin-2-one (CID 178075172) is 3-(azidomethyl)-1-cyclobutylpyridin-2-one.
What is the SMILES notation for 3-(azidomethyl)-1-cyclobutylpyridin-2-one?
The canonical SMILES for 3-(azidomethyl)-1-cyclobutylpyridin-2-one is [N-]=[N+]=NCc1cccn(C2CCC2)c1=O.
What is the InChIKey of 3-(azidomethyl)-1-cyclobutylpyridin-2-one?
The InChIKey is CRGSRDNBDOCDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-13-12-7-8-3-2-6-14(10(8)15)9-4-1-5-9/h2-3,6,9H,1,4-5,7H2.
What are the key properties of 3-(azidomethyl)-1-cyclobutylpyridin-2-one?
3-(azidomethyl)-1-cyclobutylpyridin-2-one has a molecular weight of 204.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-1-cyclobutylpyridin-2-one is sourced from PubChem (CID 178075172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).