(E)-4-imino-2-methyl-5-oxohex-2-enamide

C7H10N2O2 — CID 143588526

IUPAC(E)-4-imino-2-methyl-5-oxohex-2-enamide
SMILES[H]/N=C(/C=C(\C)C(N)=O)C(C)=O
InChIInChI=1S/C7H10N2O2/c1-4(7(9)11)3-6(8)5(2)10/h3,8H,1-2H3,(H2,9,11)/b4-3+,8-6-
InChIKeySDUGZRVXTDAFAH-MVJHVNNNSA-N
MW154.17 g/mol
LogP0.03
Rot. Bonds3

About (E)-4-imino-2-methyl-5-oxohex-2-enamide

(E)-4-imino-2-methyl-5-oxohex-2-enamide (PubChem CID 143588526) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (E)-4-imino-2-methyl-5-oxohex-2-enamide.

Molecular Properties

Compound Name(E)-4-imino-2-methyl-5-oxohex-2-enamide
PubChem CID143588526
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(E)-4-imino-2-methyl-5-oxohex-2-enamide
SMILES[H]/N=C(/C=C(\C)C(N)=O)C(C)=O
InChIInChI=1S/C7H10N2O2/c1-4(7(9)11)3-6(8)5(2)10/h3,8H,1-2H3,(H2,9,11)/b4-3+,8-6-
InChIKeySDUGZRVXTDAFAH-MVJHVNNNSA-N
XLogP0.03
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-imino-2-methyl-5-oxohex-2-enamide?
The IUPAC name of (E)-4-imino-2-methyl-5-oxohex-2-enamide (CID 143588526) is (E)-4-imino-2-methyl-5-oxohex-2-enamide.
What is the SMILES notation for (E)-4-imino-2-methyl-5-oxohex-2-enamide?
The canonical SMILES for (E)-4-imino-2-methyl-5-oxohex-2-enamide is [H]/N=C(/C=C(\C)C(N)=O)C(C)=O.
What is the InChIKey of (E)-4-imino-2-methyl-5-oxohex-2-enamide?
The InChIKey is SDUGZRVXTDAFAH-MVJHVNNNSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4(7(9)11)3-6(8)5(2)10/h3,8H,1-2H3,(H2,9,11)/b4-3+,8-6-.
What are the key properties of (E)-4-imino-2-methyl-5-oxohex-2-enamide?
(E)-4-imino-2-methyl-5-oxohex-2-enamide has a molecular weight of 154.17 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-imino-2-methyl-5-oxohex-2-enamide is sourced from PubChem (CID 143588526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).