formonitrile

CHN — CID 768

IUPACformonitrile
SMILESC#N
InChIInChI=1S/CHN/c1-2/h1H
InChIKeyLELOWRISYMNNSU-UHFFFAOYSA-N
MW27.03 g/mol
LogP0.14
Rot. Bonds

About formonitrile

formonitrile (PubChem CID 768) has the molecular formula CHN and a molecular weight of 27.03 g/mol. Its IUPAC name is formonitrile.

Molecular Properties

Compound Nameformonitrile
PubChem CID768
Molecular FormulaCHN
Molecular Weight27.03 g/mol
Exact Mass27.01
IUPAC Nameformonitrile
SMILESC#N
InChIInChI=1S/CHN/c1-2/h1H
InChIKeyLELOWRISYMNNSU-UHFFFAOYSA-N
XLogP0.14
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50027.03
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Hydrocyanic acid-d
CID 123178
azanylidyne(111C)methane
CID 451257
Formonitrilium
CID 165360189
azanylidyne(114C)methane
CID 10877049
azanylidyne(113C)methane
CID 10909478
(15N)azanylidynemethane
CID 11062296
(15N)azanylidyne(113C)methane
CID 11343984
Tritioformonitrile
CID 59938662
Deuterium monohydride;formonitrile
CID 173074590
Formonitrile;hydron
CID 173119184
Formonitrile;molecular hydrogen
CID 173372008
azanylidyne(112C)methane
CID 173419656

Frequently Asked Questions

What is the IUPAC name of formonitrile?
The IUPAC name of formonitrile (CID 768) is formonitrile.
What is the SMILES notation for formonitrile?
The canonical SMILES for formonitrile is C#N.
What is the InChIKey of formonitrile?
The InChIKey is LELOWRISYMNNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/CHN/c1-2/h1H.
What are the key properties of formonitrile?
formonitrile has a molecular weight of 27.03 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile is sourced from PubChem (CID 768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).