2-(1-cyanoethenylamino)propanenitrile

C6H7N3 — CID 571641

IUPAC2-(1-cyanoethenylamino)propanenitrile
SMILESC=C(C#N)NC(C)C#N
InChIInChI=1S/C6H7N3/c1-5(3-7)9-6(2)4-8/h6,9H,1H2,2H3
InChIKeyAKVVSSYHONBXQM-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.53
Rot. Bonds2

About 2-(1-cyanoethenylamino)propanenitrile

2-(1-cyanoethenylamino)propanenitrile (PubChem CID 571641) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 2-(1-cyanoethenylamino)propanenitrile.

Molecular Properties

Compound Name2-(1-cyanoethenylamino)propanenitrile
PubChem CID571641
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name2-(1-cyanoethenylamino)propanenitrile
SMILESC=C(C#N)NC(C)C#N
InChIInChI=1S/C6H7N3/c1-5(3-7)9-6(2)4-8/h6,9H,1H2,2H3
InChIKeyAKVVSSYHONBXQM-UHFFFAOYSA-N
XLogP0.53
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.53
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-cyanoethenylamino)propanenitrile?
The IUPAC name of 2-(1-cyanoethenylamino)propanenitrile (CID 571641) is 2-(1-cyanoethenylamino)propanenitrile.
What is the SMILES notation for 2-(1-cyanoethenylamino)propanenitrile?
The canonical SMILES for 2-(1-cyanoethenylamino)propanenitrile is C=C(C#N)NC(C)C#N.
What is the InChIKey of 2-(1-cyanoethenylamino)propanenitrile?
The InChIKey is AKVVSSYHONBXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-5(3-7)9-6(2)4-8/h6,9H,1H2,2H3.
What are the key properties of 2-(1-cyanoethenylamino)propanenitrile?
2-(1-cyanoethenylamino)propanenitrile has a molecular weight of 121.14 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanoethenylamino)propanenitrile is sourced from PubChem (CID 571641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).