buta-1,2-diene;molecular nitrogen

C4H6N2 — CID 141198155

IUPACbuta-1,2-diene;molecular nitrogen
SMILESC=C=CC.N#N
InChIInChI=1S/C4H6.N2/c1-3-4-2;1-2/h4H,1H2,2H3;
InChIKeyKZNFQUPKTHSJAJ-UHFFFAOYSA-N
MW82.11 g/mol
LogP1.38
Rot. Bonds

About buta-1,2-diene;molecular nitrogen

buta-1,2-diene;molecular nitrogen (PubChem CID 141198155) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is buta-1,2-diene;molecular nitrogen.

Molecular Properties

Compound Namebuta-1,2-diene;molecular nitrogen
PubChem CID141198155
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Namebuta-1,2-diene;molecular nitrogen
SMILESC=C=CC.N#N
InChIInChI=1S/C4H6.N2/c1-3-4-2;1-2/h4H,1H2,2H3;
InChIKeyKZNFQUPKTHSJAJ-UHFFFAOYSA-N
XLogP1.38
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

buta-1,2-diene;ethane
CID 143712294
bis(buta-1,2-diene);molecular iodine;propa-1,2-diene;triiodide;hydroiodide
CID 161242194
lithium;buta-1,2-diene;hydrogen sulfite
CID 175355103
ethene;penta-2,3-diene
CID 174357342
buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane
CID 143721190
hexa-1,2,3,4-tetraene
CID 11815814
(4E)-4-methylhexa-1,2,4-triene
CID 90999929
methane;oxalonitrile;prop-1-ene
CID 174445104
penta-1,2,3,4-tetraene;prop-1-ene
CID 91432943
dimethyl(propa-1,2-dienyl)borane
CID 23393411
4-methylhexa-2,4,5-trien-3-amine
CID 176543493
ethylidene(methylidene)azanium
CID 54351977

Frequently Asked Questions

What is the IUPAC name of buta-1,2-diene;molecular nitrogen?
The IUPAC name of buta-1,2-diene;molecular nitrogen (CID 141198155) is buta-1,2-diene;molecular nitrogen.
What is the SMILES notation for buta-1,2-diene;molecular nitrogen?
The canonical SMILES for buta-1,2-diene;molecular nitrogen is C=C=CC.N#N.
What is the InChIKey of buta-1,2-diene;molecular nitrogen?
The InChIKey is KZNFQUPKTHSJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.N2/c1-3-4-2;1-2/h4H,1H2,2H3;.
What are the key properties of buta-1,2-diene;molecular nitrogen?
buta-1,2-diene;molecular nitrogen has a molecular weight of 82.11 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,2-diene;molecular nitrogen is sourced from PubChem (CID 141198155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).