2-(1-aminopropylidene)propanedinitrile

C6H7N3 — CID 2786756

IUPAC2-(1-aminopropylidene)propanedinitrile
SMILESCCC(N)=C(C#N)C#N
InChIInChI=1S/C6H7N3/c1-2-6(9)5(3-7)4-8/h2,9H2,1H3
InChIKeyICGAWAJFQQNULG-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.66
Rot. Bonds1

About 2-(1-aminopropylidene)propanedinitrile

2-(1-aminopropylidene)propanedinitrile (PubChem CID 2786756) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 2-(1-aminopropylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1-aminopropylidene)propanedinitrile
PubChem CID2786756
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name2-(1-aminopropylidene)propanedinitrile
SMILESCCC(N)=C(C#N)C#N
InChIInChI=1S/C6H7N3/c1-2-6(9)5(3-7)4-8/h2,9H2,1H3
InChIKeyICGAWAJFQQNULG-UHFFFAOYSA-N
XLogP0.66
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropylidene)propanedinitrile?
The IUPAC name of 2-(1-aminopropylidene)propanedinitrile (CID 2786756) is 2-(1-aminopropylidene)propanedinitrile.
What is the SMILES notation for 2-(1-aminopropylidene)propanedinitrile?
The canonical SMILES for 2-(1-aminopropylidene)propanedinitrile is CCC(N)=C(C#N)C#N.
What is the InChIKey of 2-(1-aminopropylidene)propanedinitrile?
The InChIKey is ICGAWAJFQQNULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-2-6(9)5(3-7)4-8/h2,9H2,1H3.
What are the key properties of 2-(1-aminopropylidene)propanedinitrile?
2-(1-aminopropylidene)propanedinitrile has a molecular weight of 121.14 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropylidene)propanedinitrile is sourced from PubChem (CID 2786756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).