(Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide

C7H11N3O — CID 129202470

IUPAC(Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide
SMILES[H]/N=C/C(C)=C(C(N)=O)/C(C)=N/[H]
InChIInChI=1S/C7H11N3O/c1-4(3-8)6(5(2)9)7(10)11/h3,8-9H,1-2H3,(H2,10,11)/b6-4-,8-3+,9-5+
InChIKeyRNWUUPVKEJLJMZ-XXTZGLCESA-N
MW153.19 g/mol
LogP0.48
Rot. Bonds3

About (Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide

(Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide (PubChem CID 129202470) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is (Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide
PubChem CID129202470
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name(Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide
SMILES[H]/N=C/C(C)=C(C(N)=O)/C(C)=N/[H]
InChIInChI=1S/C7H11N3O/c1-4(3-8)6(5(2)9)7(10)11/h3,8-9H,1-2H3,(H2,10,11)/b6-4-,8-3+,9-5+
InChIKeyRNWUUPVKEJLJMZ-XXTZGLCESA-N
XLogP0.48
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2H-pyrrole-4-carboxamide
CID 58369287
(E)-2-ethanimidoylpent-2-enamide
CID 123461047
2-Ethanimidoyl-4-imino-3-methylbut-2-enamide
CID 123523163
5-ethanimidoyl-4-methyl-1H-pyridazin-6-one
CID 137200145
(2Z,5E)-4-imino-5-methanimidoyl-2-methylhepta-2,5-dienamide
CID 145260236
(Z)-4-imino-3-methyl-2-propan-2-ylbut-2-enamide
CID 171832958
(Z)-2-(aminomethyl)-4-imino-3-methylpent-2-enamide
CID 176790767

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide?
The IUPAC name of (Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide (CID 129202470) is (Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide.
What is the SMILES notation for (Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide?
The canonical SMILES for (Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide is [H]/N=C/C(C)=C(C(N)=O)/C(C)=N/[H].
What is the InChIKey of (Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide?
The InChIKey is RNWUUPVKEJLJMZ-XXTZGLCESA-N. The full InChI is InChI=1S/C7H11N3O/c1-4(3-8)6(5(2)9)7(10)11/h3,8-9H,1-2H3,(H2,10,11)/b6-4-,8-3+,9-5+.
What are the key properties of (Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide?
(Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide has a molecular weight of 153.19 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethanimidoyl-4-imino-3-methylbut-2-enamide is sourced from PubChem (CID 129202470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).