ethene;2-methylidenepropanedinitrile

C6H6N2 — CID 161415961

IUPACethene;2-methylidenepropanedinitrile
SMILESC=C.C=C(C#N)C#N
InChIInChI=1S/C4H2N2.C2H4/c1-4(2-5)3-6;1-2/h1H2;1-2H2
InChIKeyVWBZBSYZRVXBQL-UHFFFAOYSA-N
MW106.13 g/mol
LogP1.39
Rot. Bonds

About ethene;2-methylidenepropanedinitrile

ethene;2-methylidenepropanedinitrile (PubChem CID 161415961) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is ethene;2-methylidenepropanedinitrile.

Molecular Properties

Compound Nameethene;2-methylidenepropanedinitrile
PubChem CID161415961
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Nameethene;2-methylidenepropanedinitrile
SMILESC=C.C=C(C#N)C#N
InChIInChI=1S/C4H2N2.C2H4/c1-4(2-5)3-6;1-2/h1H2;1-2H2
InChIKeyVWBZBSYZRVXBQL-UHFFFAOYSA-N
XLogP1.39
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;2-methylidenepropanedinitrile?
The IUPAC name of ethene;2-methylidenepropanedinitrile (CID 161415961) is ethene;2-methylidenepropanedinitrile.
What is the SMILES notation for ethene;2-methylidenepropanedinitrile?
The canonical SMILES for ethene;2-methylidenepropanedinitrile is C=C.C=C(C#N)C#N.
What is the InChIKey of ethene;2-methylidenepropanedinitrile?
The InChIKey is VWBZBSYZRVXBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N2.C2H4/c1-4(2-5)3-6;1-2/h1H2;1-2H2.
What are the key properties of ethene;2-methylidenepropanedinitrile?
ethene;2-methylidenepropanedinitrile has a molecular weight of 106.13 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methylidenepropanedinitrile is sourced from PubChem (CID 161415961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).