3-cyano-N-(2-cyanoethyl)propanamide

C7H9N3O — CID 14131902

IUPAC3-cyano-N-(2-cyanoethyl)propanamide
SMILESN#CCCNC(=O)CCC#N
InChIInChI=1S/C7H9N3O/c8-4-1-3-7(11)10-6-2-5-9/h1-3,6H2,(H,10,11)
InChIKeyUDWJKEXJABXZLP-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.32
Rot. Bonds4

About 3-cyano-N-(2-cyanoethyl)propanamide

3-cyano-N-(2-cyanoethyl)propanamide (PubChem CID 14131902) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-cyano-N-(2-cyanoethyl)propanamide.

Molecular Properties

Compound Name3-cyano-N-(2-cyanoethyl)propanamide
PubChem CID14131902
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3-cyano-N-(2-cyanoethyl)propanamide
SMILESN#CCCNC(=O)CCC#N
InChIInChI=1S/C7H9N3O/c8-4-1-3-7(11)10-6-2-5-9/h1-3,6H2,(H,10,11)
InChIKeyUDWJKEXJABXZLP-UHFFFAOYSA-N
XLogP0.32
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-cyanoethyl)propanamide?
The IUPAC name of 3-cyano-N-(2-cyanoethyl)propanamide (CID 14131902) is 3-cyano-N-(2-cyanoethyl)propanamide.
What is the SMILES notation for 3-cyano-N-(2-cyanoethyl)propanamide?
The canonical SMILES for 3-cyano-N-(2-cyanoethyl)propanamide is N#CCCNC(=O)CCC#N.
What is the InChIKey of 3-cyano-N-(2-cyanoethyl)propanamide?
The InChIKey is UDWJKEXJABXZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-4-1-3-7(11)10-6-2-5-9/h1-3,6H2,(H,10,11).
What are the key properties of 3-cyano-N-(2-cyanoethyl)propanamide?
3-cyano-N-(2-cyanoethyl)propanamide has a molecular weight of 151.17 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-cyanoethyl)propanamide is sourced from PubChem (CID 14131902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).