N-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide

C7H8N4O — CID 16679784

IUPACN-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide
SMILESCCC(=O)N/C(C#N)=C(\N)C#N
InChIInChI=1S/C7H8N4O/c1-2-7(12)11-6(4-9)5(10)3-8/h2,10H2,1H3,(H,11,12)/b6-5-
InChIKeyXPVDTPVZMPQHJP-WAYWQWQTSA-N
MW164.17 g/mol
LogP-0.27
Rot. Bonds2

About N-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide

N-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide (PubChem CID 16679784) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is N-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide.

Molecular Properties

Compound NameN-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide
PubChem CID16679784
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC NameN-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide
SMILESCCC(=O)N/C(C#N)=C(\N)C#N
InChIInChI=1S/C7H8N4O/c1-2-7(12)11-6(4-9)5(10)3-8/h2,10H2,1H3,(H,11,12)/b6-5-
InChIKeyXPVDTPVZMPQHJP-WAYWQWQTSA-N
XLogP-0.27
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide?
The IUPAC name of N-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide (CID 16679784) is N-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide.
What is the SMILES notation for N-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide?
The canonical SMILES for N-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide is CCC(=O)N/C(C#N)=C(\N)C#N.
What is the InChIKey of N-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide?
The InChIKey is XPVDTPVZMPQHJP-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H8N4O/c1-2-7(12)11-6(4-9)5(10)3-8/h2,10H2,1H3,(H,11,12)/b6-5-.
What are the key properties of N-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide?
N-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide has a molecular weight of 164.17 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide is sourced from PubChem (CID 16679784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).