2-(diazidomethyl)-3-methyloxirane

C4H6N6O — CID 172702712

IUPAC2-(diazidomethyl)-3-methyloxirane
SMILESCC1OC1C(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C4H6N6O/c1-2-3(11-2)4(7-9-5)8-10-6/h2-4H,1H3
InChIKeyDEFJWNTZZWKAHZ-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.72
Rot. Bonds3

About 2-(diazidomethyl)-3-methyloxirane

2-(diazidomethyl)-3-methyloxirane (PubChem CID 172702712) has the molecular formula C4H6N6O and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-(diazidomethyl)-3-methyloxirane.

Molecular Properties

Compound Name2-(diazidomethyl)-3-methyloxirane
PubChem CID172702712
Molecular FormulaC4H6N6O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name2-(diazidomethyl)-3-methyloxirane
SMILESCC1OC1C(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C4H6N6O/c1-2-3(11-2)4(7-9-5)8-10-6/h2-4H,1H3
InChIKeyDEFJWNTZZWKAHZ-UHFFFAOYSA-N
XLogP1.72
TPSA110.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.72
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diazidomethyl)-3-methyloxirane?
The IUPAC name of 2-(diazidomethyl)-3-methyloxirane (CID 172702712) is 2-(diazidomethyl)-3-methyloxirane.
What is the SMILES notation for 2-(diazidomethyl)-3-methyloxirane?
The canonical SMILES for 2-(diazidomethyl)-3-methyloxirane is CC1OC1C(N=[N+]=[N-])N=[N+]=[N-].
What is the InChIKey of 2-(diazidomethyl)-3-methyloxirane?
The InChIKey is DEFJWNTZZWKAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6O/c1-2-3(11-2)4(7-9-5)8-10-6/h2-4H,1H3.
What are the key properties of 2-(diazidomethyl)-3-methyloxirane?
2-(diazidomethyl)-3-methyloxirane has a molecular weight of 154.13 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diazidomethyl)-3-methyloxirane is sourced from PubChem (CID 172702712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).