(Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide

C6H7N3 — CID 89012470

IUPAC(Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide
SMILESC=C/N=C(C#N)/C=C\N
InChIInChI=1S/C6H7N3/c1-2-9-6(5-8)3-4-7/h2-4H,1,7H2/b4-3-,9-6-
InChIKeyKJMGVUAVBBERHV-UBCGXMOYSA-N
MW121.14 g/mol
LogP0.57
Rot. Bonds2

About (Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide

(Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide (PubChem CID 89012470) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is (Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide.

Molecular Properties

Compound Name(Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide
PubChem CID89012470
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name(Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide
SMILESC=C/N=C(C#N)/C=C\N
InChIInChI=1S/C6H7N3/c1-2-9-6(5-8)3-4-7/h2-4H,1,7H2/b4-3-,9-6-
InChIKeyKJMGVUAVBBERHV-UBCGXMOYSA-N
XLogP0.57
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-Imino-1-pyridinyl)acetonitrile
CID 45087534
2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile
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(Z)-3-ethenyliminobut-1-en-1-amine
CID 87419799
(Z)-2-(but-3-en-2-ylideneamino)ethenamine
CID 88558951
2-Ethenyliminobut-3-en-1-amine
CID 89187037
(Z)-3-ethyliminobut-1-en-1-amine
CID 89360099
(Z)-3-methyliminobut-1-en-1-amine
CID 142051194
N-[(Z)-prop-1-enyl]prop-2-enimidoyl cyanide
CID 142137772
(Z)-3-propan-2-yliminobut-1-en-1-amine
CID 142577174
ethane;(Z)-3-methyliminobut-1-en-1-amine
CID 143155642
(Z)-3-propyliminobut-1-en-1-amine
CID 143383060
2-Aminoethenyl(but-3-en-2-ylidene)azanium
CID 146739320

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide?
The IUPAC name of (Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide (CID 89012470) is (Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide.
What is the SMILES notation for (Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide?
The canonical SMILES for (Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide is C=C/N=C(C#N)/C=C\N.
What is the InChIKey of (Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide?
The InChIKey is KJMGVUAVBBERHV-UBCGXMOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-2-9-6(5-8)3-4-7/h2-4H,1,7H2/b4-3-,9-6-.
What are the key properties of (Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide?
(Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide has a molecular weight of 121.14 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-ethenylprop-2-enimidoyl cyanide is sourced from PubChem (CID 89012470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).