2-(azidomethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol

C9H15N3O3 — CID 135078166

IUPAC2-(azidomethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)OC1C=CC(O)C(CN=[N+]=[N-])O1
InChIInChI=1S/C9H15N3O3/c1-6(2)14-9-4-3-7(13)8(15-9)5-11-12-10/h3-4,6-9,13H,5H2,1-2H3
InChIKeyWGEGFMFDLXQCJS-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.36
Rot. Bonds4

About 2-(azidomethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol

2-(azidomethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 135078166) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(azidomethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name2-(azidomethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID135078166
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-(azidomethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol
SMILESCC(C)OC1C=CC(O)C(CN=[N+]=[N-])O1
InChIInChI=1S/C9H15N3O3/c1-6(2)14-9-4-3-7(13)8(15-9)5-11-12-10/h3-4,6-9,13H,5H2,1-2H3
InChIKeyWGEGFMFDLXQCJS-UHFFFAOYSA-N
XLogP1.36
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of 2-(azidomethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol (CID 135078166) is 2-(azidomethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 2-(azidomethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for 2-(azidomethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol is CC(C)OC1C=CC(O)C(CN=[N+]=[N-])O1.
What is the InChIKey of 2-(azidomethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is WGEGFMFDLXQCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(2)14-9-4-3-7(13)8(15-9)5-11-12-10/h3-4,6-9,13H,5H2,1-2H3.
What are the key properties of 2-(azidomethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol?
2-(azidomethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 213.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 135078166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).