2-azidopropoxymethylbenzene

C10H13N3O — CID 86060396

IUPAC2-azidopropoxymethylbenzene
SMILESCC(COCc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C10H13N3O/c1-9(12-13-11)7-14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyUZBHOJQOBGBBMZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.90
Rot. Bonds5

About 2-azidopropoxymethylbenzene

2-azidopropoxymethylbenzene (PubChem CID 86060396) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-azidopropoxymethylbenzene.

Molecular Properties

Compound Name2-azidopropoxymethylbenzene
PubChem CID86060396
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-azidopropoxymethylbenzene
SMILESCC(COCc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C10H13N3O/c1-9(12-13-11)7-14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyUZBHOJQOBGBBMZ-UHFFFAOYSA-N
XLogP2.90
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.90
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 2-azidopropoxymethylbenzene?
The IUPAC name of 2-azidopropoxymethylbenzene (CID 86060396) is 2-azidopropoxymethylbenzene.
What is the SMILES notation for 2-azidopropoxymethylbenzene?
The canonical SMILES for 2-azidopropoxymethylbenzene is CC(COCc1ccccc1)N=[N+]=[N-].
What is the InChIKey of 2-azidopropoxymethylbenzene?
The InChIKey is UZBHOJQOBGBBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-9(12-13-11)7-14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 2-azidopropoxymethylbenzene?
2-azidopropoxymethylbenzene has a molecular weight of 191.23 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidopropoxymethylbenzene is sourced from PubChem (CID 86060396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).