2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane

C7H13N3O2 — CID 164753741

IUPAC2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane
SMILESCC(CN=[N+]=[N-])C1(C)OCCO1
InChIInChI=1S/C7H13N3O2/c1-6(5-9-10-8)7(2)11-3-4-12-7/h6H,3-5H2,1-2H3
InChIKeyYUIIJVLVRJKJOJ-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.70
Rot. Bonds3

About 2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane

2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane (PubChem CID 164753741) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane
PubChem CID164753741
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane
SMILESCC(CN=[N+]=[N-])C1(C)OCCO1
InChIInChI=1S/C7H13N3O2/c1-6(5-9-10-8)7(2)11-3-4-12-7/h6H,3-5H2,1-2H3
InChIKeyYUIIJVLVRJKJOJ-UHFFFAOYSA-N
XLogP1.70
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.70
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 2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane 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

2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane
CID 90807510
1-azido-2-chloropropane
CID 141342306
(1R)-2-azido-1-[5,5-bis(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 118652031
1-azido-2-isocyanopropane
CID 75114024
(2R)-1-azido-2-fluoro-3-methylbutane
CID 89243299
4-(azidomethyl)-2,2-dimethyl-1,3-dioxolane;3-azidopropane-1,2-diol
CID 159544963
[(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
CID 149426365
(2R)-3-azido-2-methylpropanoic acid
CID 13116883
2-(azidomethyl)-2,3-dimethyloxirane
CID 118438961
(2S)-1-azido-4-methylpentan-2-ol
CID 99983319
2-(azidomethyl)-2,5-dimethyl-1,3-dioxane
CID 150809746
1-azido-3-methylpentan-2-ol
CID 116691796

Frequently Asked Questions

What is the IUPAC name of 2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane (CID 164753741) is 2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane is CC(CN=[N+]=[N-])C1(C)OCCO1.
What is the InChIKey of 2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane?
The InChIKey is YUIIJVLVRJKJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-6(5-9-10-8)7(2)11-3-4-12-7/h6H,3-5H2,1-2H3.
What are the key properties of 2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane?
2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane has a molecular weight of 171.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azidopropan-2-yl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 164753741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).