N'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide

C7H12N4O — CID 15879887

IUPACN'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide
SMILESCC(C)C(=O)NN/C(N)=C/C#N
InChIInChI=1S/C7H12N4O/c1-5(2)7(12)11-10-6(9)3-4-8/h3,5,10H,9H2,1-2H3,(H,11,12)/b6-3+
InChIKeyMWIOGYKRWZQPRA-ZZXKWVIFSA-N
MW168.20 g/mol
LogP-0.41
Rot. Bonds3

About N'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide

N'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide (PubChem CID 15879887) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide
PubChem CID15879887
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide
SMILESCC(C)C(=O)NN/C(N)=C/C#N
InChIInChI=1S/C7H12N4O/c1-5(2)7(12)11-10-6(9)3-4-8/h3,5,10H,9H2,1-2H3,(H,11,12)/b6-3+
InChIKeyMWIOGYKRWZQPRA-ZZXKWVIFSA-N
XLogP-0.41
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 60704517
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(E)-3,4-dimethylpent-2-enenitrile
CID 13096538
N-carbamoyl-2-methylpropanamide
CID 541584
6-oxo-3-propan-2-ylhept-2-enenitrile
CID 3704659
2-amino-4-methylpent-2-enenitrile
CID 565432
(2-cyanobutanoylamino)urea
CID 14198973
N'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide
CID 2398066
2-(2-methylpropanoylamino)but-2-enamide
CID 57262918
2,3-dicyanoprop-2-enamide
CID 173308718
cyanamide;2-methylpropanoic acid
CID 172748410
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide?
The IUPAC name of N'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide (CID 15879887) is N'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide.
What is the SMILES notation for N'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide?
The canonical SMILES for N'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide is CC(C)C(=O)NN/C(N)=C/C#N.
What is the InChIKey of N'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide?
The InChIKey is MWIOGYKRWZQPRA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(2)7(12)11-10-6(9)3-4-8/h3,5,10H,9H2,1-2H3,(H,11,12)/b6-3+.
What are the key properties of N'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide?
N'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide has a molecular weight of 168.20 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide is sourced from PubChem (CID 15879887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).