propa-1,2-diene

C3H4 — CID 10037

IUPACpropa-1,2-diene
SMILESC=C=C
InChIInChI=1S/C3H4/c1-3-2/h1-2H2
InChIKeyIYABWNGZIDDRAK-UHFFFAOYSA-N
MW40.06 g/mol
LogP0.96
Rot. Bonds

About propa-1,2-diene

propa-1,2-diene (PubChem CID 10037) has the molecular formula C3H4 and a molecular weight of 40.06 g/mol. Its IUPAC name is propa-1,2-diene.

Molecular Properties

Compound Namepropa-1,2-diene
PubChem CID10037
Molecular FormulaC3H4
Molecular Weight40.06 g/mol
Exact Mass40.03
IUPAC Namepropa-1,2-diene
SMILESC=C=C
InChIInChI=1S/C3H4/c1-3-2/h1-2H2
InChIKeyIYABWNGZIDDRAK-UHFFFAOYSA-N
XLogP0.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50040.06
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;bis(propa-1,2-diene)
CID 158722714
methane;propa-1,2-diene;hydrate
CID 169425372
benzene;propa-1,2-diene
CID 159058738
bis(buta-1,3-diene);propa-1,2-diene
CID 174876021
methane;propa-1,2-diene;propane
CID 160788212
propa-1,2-diene;propan-2-one
CID 159669386
ethenylidenephosphane
CID 57479288
ethenylidenesilane
CID 91235902
1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene)
CID 173372784
cyano thiocyanate;propa-1,2-diene
CID 175076355
dichloro(methylidene)ruthenium;methylazanide;propa-1,2-diene
CID 156682049
1-fluoropropane;propa-1,2-diene
CID 174917673

Frequently Asked Questions

What is the IUPAC name of propa-1,2-diene?
The IUPAC name of propa-1,2-diene (CID 10037) is propa-1,2-diene.
What is the SMILES notation for propa-1,2-diene?
The canonical SMILES for propa-1,2-diene is C=C=C.
What is the InChIKey of propa-1,2-diene?
The InChIKey is IYABWNGZIDDRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4/c1-3-2/h1-2H2.
What are the key properties of propa-1,2-diene?
propa-1,2-diene has a molecular weight of 40.06 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propa-1,2-diene is sourced from PubChem (CID 10037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).