3-methyl-3H-diazirine

C2H4N2 — CID 6420208

IUPAC3-methyl-3H-diazirine
SMILESCC1N=N1
InChIInChI=1S/C2H4N2/c1-2-3-4-2/h2H,1H3
InChIKeyPNEUOFCODNXMRA-UHFFFAOYSA-N
MW56.07 g/mol
LogP0.80
Rot. Bonds

About 3-methyl-3H-diazirine

3-methyl-3H-diazirine (PubChem CID 6420208) has the molecular formula C2H4N2 and a molecular weight of 56.07 g/mol. Its IUPAC name is 3-methyl-3H-diazirine.

Molecular Properties

Compound Name3-methyl-3H-diazirine
PubChem CID6420208
Molecular FormulaC2H4N2
Molecular Weight56.07 g/mol
Exact Mass56.04
IUPAC Name3-methyl-3H-diazirine
SMILESCC1N=N1
InChIInChI=1S/C2H4N2/c1-2-3-4-2/h2H,1H3
InChIKeyPNEUOFCODNXMRA-UHFFFAOYSA-N
XLogP0.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50056.07
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3H-diazirine?
The IUPAC name of 3-methyl-3H-diazirine (CID 6420208) is 3-methyl-3H-diazirine.
What is the SMILES notation for 3-methyl-3H-diazirine?
The canonical SMILES for 3-methyl-3H-diazirine is CC1N=N1.
What is the InChIKey of 3-methyl-3H-diazirine?
The InChIKey is PNEUOFCODNXMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2/c1-2-3-4-2/h2H,1H3.
What are the key properties of 3-methyl-3H-diazirine?
3-methyl-3H-diazirine has a molecular weight of 56.07 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3H-diazirine is sourced from PubChem (CID 6420208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).