(E)-N-ethylidene-2-methylbut-2-enamide

C7H11NO — CID 141037119

IUPAC(E)-N-ethylidene-2-methylbut-2-enamide
SMILESC/C=N/C(=O)/C(C)=C/C
InChIInChI=1S/C7H11NO/c1-4-6(3)7(9)8-5-2/h4-5H,1-3H3/b6-4+,8-5+
InChIKeyOQXKPQUIYWQMNT-HLQBBKRNSA-N
MW125.17 g/mol
LogP1.57
Rot. Bonds1

About (E)-N-ethylidene-2-methylbut-2-enamide

(E)-N-ethylidene-2-methylbut-2-enamide (PubChem CID 141037119) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (E)-N-ethylidene-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-ethylidene-2-methylbut-2-enamide
PubChem CID141037119
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(E)-N-ethylidene-2-methylbut-2-enamide
SMILESC/C=N/C(=O)/C(C)=C/C
InChIInChI=1S/C7H11NO/c1-4-6(3)7(9)8-5-2/h4-5H,1-3H3/b6-4+,8-5+
InChIKeyOQXKPQUIYWQMNT-HLQBBKRNSA-N
XLogP1.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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)-N-ethylidene-2-methylbut-2-enamide?
The IUPAC name of (E)-N-ethylidene-2-methylbut-2-enamide (CID 141037119) is (E)-N-ethylidene-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-ethylidene-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-ethylidene-2-methylbut-2-enamide is C/C=N/C(=O)/C(C)=C/C.
What is the InChIKey of (E)-N-ethylidene-2-methylbut-2-enamide?
The InChIKey is OQXKPQUIYWQMNT-HLQBBKRNSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-6(3)7(9)8-5-2/h4-5H,1-3H3/b6-4+,8-5+.
What are the key properties of (E)-N-ethylidene-2-methylbut-2-enamide?
(E)-N-ethylidene-2-methylbut-2-enamide has a molecular weight of 125.17 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethylidene-2-methylbut-2-enamide is sourced from PubChem (CID 141037119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).