3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine

C10H11N3O2 — CID 150386089

IUPAC3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine
SMILES[N-]=[N+]=NCCC1COc2ccccc2O1
InChIInChI=1S/C10H11N3O2/c11-13-12-6-5-8-7-14-9-3-1-2-4-10(9)15-8/h1-4,8H,5-7H2
InChIKeyHASOTCYWDQWOLV-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.53
Rot. Bonds3

About 3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine

3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 150386089) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine
PubChem CID150386089
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine
SMILES[N-]=[N+]=NCCC1COc2ccccc2O1
InChIInChI=1S/C10H11N3O2/c11-13-12-6-5-8-7-14-9-3-1-2-4-10(9)15-8/h1-4,8H,5-7H2
InChIKeyHASOTCYWDQWOLV-UHFFFAOYSA-N
XLogP2.53
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.53
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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Related Compounds

(3R)-3-(2-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 92980685
3-(4-bromobutyl)-2,3-dihydro-1,4-benzodioxine
CID 70485741
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
CID 15053
(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
CID 736477
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
3-(azidomethyl)-5-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 90866841
3-(azidomethyl)-5-(2-fluorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 91535920
2,3-dihydro-1,4-benzodioxin-3-ylmethyl N'-aminocarbamimidothioate
CID 77061065
5-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]pyrimidin-2-amine
CID 124755755
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 1251106
(3S)-3-propyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
CID 125479547
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate
CID 7304761

Frequently Asked Questions

What is the IUPAC name of 3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine (CID 150386089) is 3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine is [N-]=[N+]=NCCC1COc2ccccc2O1.
What is the InChIKey of 3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is HASOTCYWDQWOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-13-12-6-5-8-7-14-9-3-1-2-4-10(9)15-8/h1-4,8H,5-7H2.
What are the key properties of 3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine?
3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 205.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azidoethyl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 150386089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).