acetylene;formonitrile

C3H3N — CID 159074223

IUPACacetylene;formonitrile
SMILESC#C.C#N
InChIInChI=1S/C2H2.CHN/c2*1-2/h1-2H;1H
InChIKeyKAAXBZZRAZARDL-UHFFFAOYSA-N
MW53.06 g/mol
LogP0.39
Rot. Bonds

About acetylene;formonitrile

acetylene;formonitrile (PubChem CID 159074223) has the molecular formula C3H3N and a molecular weight of 53.06 g/mol. Its IUPAC name is acetylene;formonitrile.

Molecular Properties

Compound Nameacetylene;formonitrile
PubChem CID159074223
Molecular FormulaC3H3N
Molecular Weight53.06 g/mol
Exact Mass53.03
IUPAC Nameacetylene;formonitrile
SMILESC#C.C#N
InChIInChI=1S/C2H2.CHN/c2*1-2/h1-2H;1H
InChIKeyKAAXBZZRAZARDL-UHFFFAOYSA-N
XLogP0.39
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50053.06
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(15N)azanylidynemethane
CID 11062296
CID 23506324
CID 23506324
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CID 88640099
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CID 173125463
tetrakis(formonitrile);iron
CID 139031225
formonitrile;hydrochloride
CID 71345994
formonitrile;hydron
CID 165360189
hexakis(formonitrile);nickel
CID 174990334
formonitrile;tantalum
CID 87164485
formonitrile;molybdenum
CID 87139949
copper;formonitrile;manganese
CID 88810962

Frequently Asked Questions

What is the IUPAC name of acetylene;formonitrile?
The IUPAC name of acetylene;formonitrile (CID 159074223) is acetylene;formonitrile.
What is the SMILES notation for acetylene;formonitrile?
The canonical SMILES for acetylene;formonitrile is C#C.C#N.
What is the InChIKey of acetylene;formonitrile?
The InChIKey is KAAXBZZRAZARDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2.CHN/c2*1-2/h1-2H;1H.
What are the key properties of acetylene;formonitrile?
acetylene;formonitrile has a molecular weight of 53.06 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;formonitrile is sourced from PubChem (CID 159074223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).