2-(2-azidopropan-2-yl)-3,4,5-trimethyloxolane

C10H19N3O — CID 54026763

IUPAC2-(2-azidopropan-2-yl)-3,4,5-trimethyloxolane
SMILESCC1OC(C(C)(C)N=[N+]=[N-])C(C)C1C
InChIInChI=1S/C10H19N3O/c1-6-7(2)9(14-8(6)3)10(4,5)12-13-11/h6-9H,1-5H3
InChIKeyLCSNQDMIZGVXMJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.13
Rot. Bonds2

About 2-(2-azidopropan-2-yl)-3,4,5-trimethyloxolane

2-(2-azidopropan-2-yl)-3,4,5-trimethyloxolane (PubChem CID 54026763) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(2-azidopropan-2-yl)-3,4,5-trimethyloxolane.

Molecular Properties

Compound Name2-(2-azidopropan-2-yl)-3,4,5-trimethyloxolane
PubChem CID54026763
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(2-azidopropan-2-yl)-3,4,5-trimethyloxolane
SMILESCC1OC(C(C)(C)N=[N+]=[N-])C(C)C1C
InChIInChI=1S/C10H19N3O/c1-6-7(2)9(14-8(6)3)10(4,5)12-13-11/h6-9H,1-5H3
InChIKeyLCSNQDMIZGVXMJ-UHFFFAOYSA-N
XLogP3.13
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.13
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-(2-azidopropan-2-yl)-3,4,5-trimethyloxolane?
The IUPAC name of 2-(2-azidopropan-2-yl)-3,4,5-trimethyloxolane (CID 54026763) is 2-(2-azidopropan-2-yl)-3,4,5-trimethyloxolane.
What is the SMILES notation for 2-(2-azidopropan-2-yl)-3,4,5-trimethyloxolane?
The canonical SMILES for 2-(2-azidopropan-2-yl)-3,4,5-trimethyloxolane is CC1OC(C(C)(C)N=[N+]=[N-])C(C)C1C.
What is the InChIKey of 2-(2-azidopropan-2-yl)-3,4,5-trimethyloxolane?
The InChIKey is LCSNQDMIZGVXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-6-7(2)9(14-8(6)3)10(4,5)12-13-11/h6-9H,1-5H3.
What are the key properties of 2-(2-azidopropan-2-yl)-3,4,5-trimethyloxolane?
2-(2-azidopropan-2-yl)-3,4,5-trimethyloxolane has a molecular weight of 197.28 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidopropan-2-yl)-3,4,5-trimethyloxolane is sourced from PubChem (CID 54026763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).