(2R,4R)-2-(azidomethyl)-4-methyloxolane

C6H11N3O — CID 125456409

IUPAC(2R,4R)-2-(azidomethyl)-4-methyloxolane
SMILESC[C@H]1CO[C@@H](CN=[N+]=[N-])C1
InChIInChI=1S/C6H11N3O/c1-5-2-6(10-4-5)3-8-9-7/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyMHWXROIZFXYGKM-PHDIDXHHSA-N
MW141.17 g/mol
LogP1.72
Rot. Bonds2

About (2R,4R)-2-(azidomethyl)-4-methyloxolane

(2R,4R)-2-(azidomethyl)-4-methyloxolane (PubChem CID 125456409) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (2R,4R)-2-(azidomethyl)-4-methyloxolane.

Molecular Properties

Compound Name(2R,4R)-2-(azidomethyl)-4-methyloxolane
PubChem CID125456409
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(2R,4R)-2-(azidomethyl)-4-methyloxolane
SMILESC[C@H]1CO[C@@H](CN=[N+]=[N-])C1
InChIInChI=1S/C6H11N3O/c1-5-2-6(10-4-5)3-8-9-7/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyMHWXROIZFXYGKM-PHDIDXHHSA-N
XLogP1.72
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.72
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'}

Analyze (2R,4R)-2-(azidomethyl)-4-methyloxolane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(azidomethyl)-4-methyloxolane?
The IUPAC name of (2R,4R)-2-(azidomethyl)-4-methyloxolane (CID 125456409) is (2R,4R)-2-(azidomethyl)-4-methyloxolane.
What is the SMILES notation for (2R,4R)-2-(azidomethyl)-4-methyloxolane?
The canonical SMILES for (2R,4R)-2-(azidomethyl)-4-methyloxolane is C[C@H]1CO[C@@H](CN=[N+]=[N-])C1.
What is the InChIKey of (2R,4R)-2-(azidomethyl)-4-methyloxolane?
The InChIKey is MHWXROIZFXYGKM-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5-2-6(10-4-5)3-8-9-7/h5-6H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (2R,4R)-2-(azidomethyl)-4-methyloxolane?
(2R,4R)-2-(azidomethyl)-4-methyloxolane has a molecular weight of 141.17 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(azidomethyl)-4-methyloxolane is sourced from PubChem (CID 125456409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).