N-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide

C10H12N4O2 — CID 86741084

IUPACN-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide
SMILESCC(=O)N(C#N)C/C=C\CN(C#N)C(C)=O
InChIInChI=1S/C10H12N4O2/c1-9(15)13(7-11)5-3-4-6-14(8-12)10(2)16/h3-4H,5-6H2,1-2H3/b4-3-
InChIKeyUZRQCINZBUNLLA-ARJAWSKDSA-N
MW220.23 g/mol
LogP0.20
Rot. Bonds4

About N-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide

N-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide (PubChem CID 86741084) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide.

Molecular Properties

Compound NameN-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide
PubChem CID86741084
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide
SMILESCC(=O)N(C#N)C/C=C\CN(C#N)C(C)=O
InChIInChI=1S/C10H12N4O2/c1-9(15)13(7-11)5-3-4-6-14(8-12)10(2)16/h3-4H,5-6H2,1-2H3/b4-3-
InChIKeyUZRQCINZBUNLLA-ARJAWSKDSA-N
XLogP0.20
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylacetamide;oxalonitrile
CID 174761763
acetyl(amino)cyanamide
CID 6452580
N-acetyl-N-hydroxyacetamide;formaldehyde
CID 144940058
oct-4-ene-2,7-dione
CID 57029717
N,N-dimethylacetamide;hexanedinitrile
CID 163600575
N-(cyanomethyl)-N-ethylacetamide
CID 14023628
N,N'-dicyano-N'-ethyloxamide
CID 139670351
(E)-N-cyano-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273963
bis(acetonitrile);bis(propan-2-one)
CID 163880321
cyanic acid;propan-2-one
CID 141158454
acetic acid;acetonitrile;formaldehyde
CID 174459344
acetonitrile;propane;propan-2-one
CID 18955680

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide?
The IUPAC name of N-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide (CID 86741084) is N-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide.
What is the SMILES notation for N-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide?
The canonical SMILES for N-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide is CC(=O)N(C#N)C/C=C\CN(C#N)C(C)=O.
What is the InChIKey of N-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide?
The InChIKey is UZRQCINZBUNLLA-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-9(15)13(7-11)5-3-4-6-14(8-12)10(2)16/h3-4H,5-6H2,1-2H3/b4-3-.
What are the key properties of N-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide?
N-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide has a molecular weight of 220.23 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-[acetyl(cyano)amino]but-2-enyl]-N-cyanoacetamide is sourced from PubChem (CID 86741084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).