4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile

C10H14N4 — CID 91036112

IUPAC4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile
SMILESCC(C#N)=CCNNCC=C(C)C#N
InChIInChI=1S/C10H14N4/c1-9(7-11)3-5-13-14-6-4-10(2)8-12/h3-4,13-14H,5-6H2,1-2H3
InChIKeyMJRMZSYHMDWRMZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.02
Rot. Bonds5

About 4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile

4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile (PubChem CID 91036112) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile.

Molecular Properties

Compound Name4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile
PubChem CID91036112
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile
SMILESCC(C#N)=CCNNCC=C(C)C#N
InChIInChI=1S/C10H14N4/c1-9(7-11)3-5-13-14-6-4-10(2)8-12/h3-4,13-14H,5-6H2,1-2H3
InChIKeyMJRMZSYHMDWRMZ-UHFFFAOYSA-N
XLogP1.02
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methylpent-2-enenitrile
CID 5352199
(2Z)-2,6-dimethylhepta-2,5-dienenitrile
CID 134917311
(E)-5-hydroxy-2-methylpent-2-enenitrile
CID 14266437
(Z)-2,5-dimethylhex-2-enenitrile
CID 135253424
2,8-dimethylnona-2,7-dienenitrile
CID 162785101
2-methylicos-2-enenitrile
CID 175504471
ethane;(E)-2-methylbut-2-enenitrile
CID 143019003
potassium (E)-2-cyanoprop-1-en-1-olate
CID 59075416
2-(1,5-dicyanohexa-1,4-dienyl)propanedioic acid
CID 54308436
(Z)-4-(2,6-dimethylthiomorpholin-4-yl)-2-methylbut-2-enenitrile
CID 165441935
(2E,4E)-5-hydroxy-2-methylhexa-2,4-dienenitrile
CID 167184746
(E)-2-methyl-4-oxopent-2-enenitrile
CID 143018586

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile?
The IUPAC name of 4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile (CID 91036112) is 4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile.
What is the SMILES notation for 4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile?
The canonical SMILES for 4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile is CC(C#N)=CCNNCC=C(C)C#N.
What is the InChIKey of 4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile?
The InChIKey is MJRMZSYHMDWRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-9(7-11)3-5-13-14-6-4-10(2)8-12/h3-4,13-14H,5-6H2,1-2H3.
What are the key properties of 4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile?
4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile is sourced from PubChem (CID 91036112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).