2-(azidomethyl)-5-propoxypyran-4-one

C9H11N3O3 — CID 42625753

IUPAC2-(azidomethyl)-5-propoxypyran-4-one
SMILESCCCOc1coc(CN=[N+]=[N-])cc1=O
InChIInChI=1S/C9H11N3O3/c1-2-3-14-9-6-15-7(4-8(9)13)5-11-12-10/h4,6H,2-3,5H2,1H3
InChIKeyVVZRRHIIOKYHGT-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.24
Rot. Bonds5

About 2-(azidomethyl)-5-propoxypyran-4-one

2-(azidomethyl)-5-propoxypyran-4-one (PubChem CID 42625753) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(azidomethyl)-5-propoxypyran-4-one.

Molecular Properties

Compound Name2-(azidomethyl)-5-propoxypyran-4-one
PubChem CID42625753
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-(azidomethyl)-5-propoxypyran-4-one
SMILESCCCOc1coc(CN=[N+]=[N-])cc1=O
InChIInChI=1S/C9H11N3O3/c1-2-3-14-9-6-15-7(4-8(9)13)5-11-12-10/h4,6H,2-3,5H2,1H3
InChIKeyVVZRRHIIOKYHGT-UHFFFAOYSA-N
XLogP2.24
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4H-Pyran-4-one, 2-(azidomethyl)-5-hydroxy-
CID 3703314
2-Aminomethyl-5-methoxy-pyran-4-one
CID 5079829
2-(Aminomethyl)-5-butoxypyran-4-one
CID 82064025
2-(Azidomethyl)-5-butoxypyran-4-one
CID 90287614
6-(Azidomethyl)-3-butoxy-4-oxopyran-2-carbaldehyde
CID 173500031
2-(Azidomethyl)-5-methoxypyran-4-one
CID 14876278
2-(Aminomethyl)-5-propoxy-4H-pyran-4-one
CID 42625908
2-(Aminomethyl)-5-ethoxypyran-4-one
CID 82063231
2-(Aminomethyl)-5-(2-methylpropoxy)pyran-4-one
CID 82064031
2-[[Diazonio(ethyl)amino]methyl]-5-methoxy-4-oxopyran
CID 112456788
2-[[Diazonio(propyl)amino]methyl]-5-methoxy-4-oxopyran
CID 112456789
2-[[Diazonio(methyl)amino]methyl]-5-methoxy-4-oxopyran
CID 112456794

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-5-propoxypyran-4-one?
The IUPAC name of 2-(azidomethyl)-5-propoxypyran-4-one (CID 42625753) is 2-(azidomethyl)-5-propoxypyran-4-one.
What is the SMILES notation for 2-(azidomethyl)-5-propoxypyran-4-one?
The canonical SMILES for 2-(azidomethyl)-5-propoxypyran-4-one is CCCOc1coc(CN=[N+]=[N-])cc1=O.
What is the InChIKey of 2-(azidomethyl)-5-propoxypyran-4-one?
The InChIKey is VVZRRHIIOKYHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-2-3-14-9-6-15-7(4-8(9)13)5-11-12-10/h4,6H,2-3,5H2,1H3.
What are the key properties of 2-(azidomethyl)-5-propoxypyran-4-one?
2-(azidomethyl)-5-propoxypyran-4-one has a molecular weight of 209.20 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-5-propoxypyran-4-one is sourced from PubChem (CID 42625753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).