2-diazobutane

C4H8N2 — CID 12546270

IUPAC2-diazobutane
SMILESCCC(C)=[N+]=[N-]
InChIInChI=1S/C4H8N2/c1-3-4(2)6-5/h3H2,1-2H3
InChIKeyWDWZAYNDFGKPHQ-UHFFFAOYSA-N
MW84.12 g/mol
LogP1.09
Rot. Bonds1

About 2-diazobutane

2-diazobutane (PubChem CID 12546270) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is 2-diazobutane.

Molecular Properties

Compound Name2-diazobutane
PubChem CID12546270
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC Name2-diazobutane
SMILESCCC(C)=[N+]=[N-]
InChIInChI=1S/C4H8N2/c1-3-4(2)6-5/h3H2,1-2H3
InChIKeyWDWZAYNDFGKPHQ-UHFFFAOYSA-N
XLogP1.09
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Acetazine
CID 79085
2-Butanone, (1-methylpropylidene)hydrazone
CID 5492886
Propane, 2-diazo-
CID 137678
Butan-2-ylidenehydrazine
CID 12546268
4-Diazopentane
CID 20333483
(Z)-Butanonhydrazon
CID 21719952
(Butan-2-ylidene)hydrazine
CID 71356052
3-Diazoheptane
CID 129752047
Methyl ketazine
CID 129868276
4-Diazoheptane
CID 15445316
(Z)-N-[(Z)-butan-2-ylideneamino]butan-2-imine
CID 6507122
1,1,1-trideuterio-N-(propan-2-ylideneamino)propan-2-imine
CID 91216658

Frequently Asked Questions

What is the IUPAC name of 2-diazobutane?
The IUPAC name of 2-diazobutane (CID 12546270) is 2-diazobutane.
What is the SMILES notation for 2-diazobutane?
The canonical SMILES for 2-diazobutane is CCC(C)=[N+]=[N-].
What is the InChIKey of 2-diazobutane?
The InChIKey is WDWZAYNDFGKPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-3-4(2)6-5/h3H2,1-2H3.
What are the key properties of 2-diazobutane?
2-diazobutane has a molecular weight of 84.12 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazobutane is sourced from PubChem (CID 12546270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).