5-[(2R)-2-azidopropyl]-1,3-benzodioxole

C10H11N3O2 — CID 150458860

IUPAC5-[(2R)-2-azidopropyl]-1,3-benzodioxole
SMILESC[C@H](Cc1ccc2c(c1)OCO2)N=[N+]=[N-]
InChIInChI=1S/C10H11N3O2/c1-7(12-13-11)4-8-2-3-9-10(5-8)15-6-14-9/h2-3,5,7H,4,6H2,1H3/t7-/m1/s1
InChIKeyHPJBEFNLQBDTRJ-SSDOTTSWSA-N
MW205.22 g/mol
LogP2.66
Rot. Bonds3

About 5-[(2R)-2-azidopropyl]-1,3-benzodioxole

5-[(2R)-2-azidopropyl]-1,3-benzodioxole (PubChem CID 150458860) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 5-[(2R)-2-azidopropyl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[(2R)-2-azidopropyl]-1,3-benzodioxole
PubChem CID150458860
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name5-[(2R)-2-azidopropyl]-1,3-benzodioxole
SMILESC[C@H](Cc1ccc2c(c1)OCO2)N=[N+]=[N-]
InChIInChI=1S/C10H11N3O2/c1-7(12-13-11)4-8-2-3-9-10(5-8)15-6-14-9/h2-3,5,7H,4,6H2,1H3/t7-/m1/s1
InChIKeyHPJBEFNLQBDTRJ-SSDOTTSWSA-N
XLogP2.66
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 ≤ 52.66
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'}

Analyze 5-[(2R)-2-azidopropyl]-1,3-benzodioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]methanimine
CID 69401308
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
CID 42325917
(2S)-1-(1,3-benzodioxol-5-yl)butan-2-amine
CID 54579998
(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 16720165
1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine;hydrochloride
CID 3057998
acetylene;5-ethyl-1,3-benzodioxole;2-methylpropane
CID 142810291
3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
CID 19614615
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,2,2-trimethylpropanamide
CID 166468601
(2R)-1-(1,3-benzodioxol-5-yl)-N-ethylbutan-2-amine
CID 93341377

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-azidopropyl]-1,3-benzodioxole?
The IUPAC name of 5-[(2R)-2-azidopropyl]-1,3-benzodioxole (CID 150458860) is 5-[(2R)-2-azidopropyl]-1,3-benzodioxole.
What is the SMILES notation for 5-[(2R)-2-azidopropyl]-1,3-benzodioxole?
The canonical SMILES for 5-[(2R)-2-azidopropyl]-1,3-benzodioxole is C[C@H](Cc1ccc2c(c1)OCO2)N=[N+]=[N-].
What is the InChIKey of 5-[(2R)-2-azidopropyl]-1,3-benzodioxole?
The InChIKey is HPJBEFNLQBDTRJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7(12-13-11)4-8-2-3-9-10(5-8)15-6-14-9/h2-3,5,7H,4,6H2,1H3/t7-/m1/s1.
What are the key properties of 5-[(2R)-2-azidopropyl]-1,3-benzodioxole?
5-[(2R)-2-azidopropyl]-1,3-benzodioxole has a molecular weight of 205.22 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-azidopropyl]-1,3-benzodioxole is sourced from PubChem (CID 150458860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).