2-[(2Z)-2-ethylidenehydrazinyl]prop-2-enenitrile

C5H7N3 — CID 143941342

IUPAC2-[(2Z)-2-ethylidenehydrazinyl]prop-2-enenitrile
SMILESC=C(C#N)N/N=C\C
InChIInChI=1S/C5H7N3/c1-3-7-8-5(2)4-6/h3,8H,2H2,1H3/b7-3-
InChIKeyXNOKYVDVYIBVAB-CLTKARDFSA-N
MW109.13 g/mol
LogP0.62
Rot. Bonds2

About 2-[(2Z)-2-ethylidenehydrazinyl]prop-2-enenitrile

2-[(2Z)-2-ethylidenehydrazinyl]prop-2-enenitrile (PubChem CID 143941342) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 2-[(2Z)-2-ethylidenehydrazinyl]prop-2-enenitrile.

Molecular Properties

Compound Name2-[(2Z)-2-ethylidenehydrazinyl]prop-2-enenitrile
PubChem CID143941342
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name2-[(2Z)-2-ethylidenehydrazinyl]prop-2-enenitrile
SMILESC=C(C#N)N/N=C\C
InChIInChI=1S/C5H7N3/c1-3-7-8-5(2)4-6/h3,8H,2H2,1H3/b7-3-
InChIKeyXNOKYVDVYIBVAB-CLTKARDFSA-N
XLogP0.62
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N'-(ethylideneamino)ethene-1,1-diamine
CID 58774645
2-(ethylideneamino)prop-2-enenitrile
CID 145493819
N-[(Z)-ethylideneamino]-N'-methylethanimidamide
CID 89218038
N'-amino-N-[(Z)-ethylideneamino]propanimidamide
CID 174020108
N-(1-cyanoethenyl)acetamide
CID 86050643
(1E)-N-[(Z)-ethylideneamino]-1-(methylideneamino)buta-1,3-dien-1-amine
CID 90210922
N-[(Z)-ethylideneamino]-2,2-dimethylpropanamide
CID 130468433
methyl 2-cyano-3-[ethenyl(dimethyl)silyl]prop-2-enoate
CID 175468999
methyl N-[(E)-ethylideneamino]-N'-methylcarbamimidothioate
CID 121389053
N-prop-1-en-2-ylprop-2-enimidoyl cyanide
CID 143976470
methane;oxalonitrile;prop-1-ene
CID 174445104
[(E)-1-[(2Z)-2-ethylidenehydrazinyl]-1-oxobut-2-en-2-yl] (Z)-2-(2-methylhydrazinyl)but-2-enoate
CID 139293874

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-ethylidenehydrazinyl]prop-2-enenitrile?
The IUPAC name of 2-[(2Z)-2-ethylidenehydrazinyl]prop-2-enenitrile (CID 143941342) is 2-[(2Z)-2-ethylidenehydrazinyl]prop-2-enenitrile.
What is the SMILES notation for 2-[(2Z)-2-ethylidenehydrazinyl]prop-2-enenitrile?
The canonical SMILES for 2-[(2Z)-2-ethylidenehydrazinyl]prop-2-enenitrile is C=C(C#N)N/N=C\C.
What is the InChIKey of 2-[(2Z)-2-ethylidenehydrazinyl]prop-2-enenitrile?
The InChIKey is XNOKYVDVYIBVAB-CLTKARDFSA-N. The full InChI is InChI=1S/C5H7N3/c1-3-7-8-5(2)4-6/h3,8H,2H2,1H3/b7-3-.
What are the key properties of 2-[(2Z)-2-ethylidenehydrazinyl]prop-2-enenitrile?
2-[(2Z)-2-ethylidenehydrazinyl]prop-2-enenitrile has a molecular weight of 109.13 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-ethylidenehydrazinyl]prop-2-enenitrile is sourced from PubChem (CID 143941342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).