formonitrile;2-methylprop-2-enenitrile

C5H6N2 — CID 174326031

IUPACformonitrile;2-methylprop-2-enenitrile
SMILESC#N.C=C(C)C#N
InChIInChI=1S/C4H5N.CHN/c1-4(2)3-5;1-2/h1H2,2H3;1H
InChIKeyUTIOPEQYMNHFIK-UHFFFAOYSA-N
MW94.12 g/mol
LogP1.23
Rot. Bonds

About formonitrile;2-methylprop-2-enenitrile

formonitrile;2-methylprop-2-enenitrile (PubChem CID 174326031) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is formonitrile;2-methylprop-2-enenitrile.

Molecular Properties

Compound Nameformonitrile;2-methylprop-2-enenitrile
PubChem CID174326031
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Nameformonitrile;2-methylprop-2-enenitrile
SMILESC#N.C=C(C)C#N
InChIInChI=1S/C4H5N.CHN/c1-4(2)3-5;1-2/h1H2,2H3;1H
InChIKeyUTIOPEQYMNHFIK-UHFFFAOYSA-N
XLogP1.23
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichlororuthenium;tetrakis(2-methylprop-2-enenitrile)
CID 22748588
isocyanic acid;2-methylprop-2-enenitrile
CID 172858040
buta-1,3-diene;2-methylbuta-1,3-diene;2-methylprop-2-enenitrile
CID 174444514
2-chloroprop-1-ene;2-methylprop-2-enenitrile;prop-2-enenitrile
CID 174816161
(Z)-2,3-bis(prop-1-en-2-yl)but-2-enedinitrile
CID 145301363
buta-1,3-diene;2-methylprop-2-enenitrile;prop-2-enoic acid
CID 157263560
formonitrile;2-methylbuta-1,3-diene
CID 159945395
but-2-enenitrile;2-methylprop-2-enenitrile;pent-2-enenitrile
CID 173160707
4-acetyl-2,6-dimethylideneheptanedinitrile
CID 54762673
ethene;2-methylidenepropanedinitrile
CID 161415961
2-methylprop-2-enenitrile
CID 86246555
(E)-2,3-dimethylbut-2-enedinitrile;ethane
CID 145022966

Frequently Asked Questions

What is the IUPAC name of formonitrile;2-methylprop-2-enenitrile?
The IUPAC name of formonitrile;2-methylprop-2-enenitrile (CID 174326031) is formonitrile;2-methylprop-2-enenitrile.
What is the SMILES notation for formonitrile;2-methylprop-2-enenitrile?
The canonical SMILES for formonitrile;2-methylprop-2-enenitrile is C#N.C=C(C)C#N.
What is the InChIKey of formonitrile;2-methylprop-2-enenitrile?
The InChIKey is UTIOPEQYMNHFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.CHN/c1-4(2)3-5;1-2/h1H2,2H3;1H.
What are the key properties of formonitrile;2-methylprop-2-enenitrile?
formonitrile;2-methylprop-2-enenitrile has a molecular weight of 94.12 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;2-methylprop-2-enenitrile is sourced from PubChem (CID 174326031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).