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

C7H13NO — CID 88882032

IUPAC(E)-N-ethyl-N-methylbut-2-enamide
SMILESC/C=C/C(=O)N(C)CC
InChIInChI=1S/C7H13NO/c1-4-6-7(9)8(3)5-2/h4,6H,5H2,1-3H3/b6-4+
InChIKeyKMJRDOJYALQIFZ-GQCTYLIASA-N
MW127.19 g/mol
LogP1.04
Rot. Bonds2

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

(E)-N-ethyl-N-methylbut-2-enamide (PubChem CID 88882032) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-N-ethyl-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-N-methylbut-2-enamide
PubChem CID88882032
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(E)-N-ethyl-N-methylbut-2-enamide
SMILESC/C=C/C(=O)N(C)CC
InChIInChI=1S/C7H13NO/c1-4-6-7(9)8(3)5-2/h4,6H,5H2,1-3H3/b6-4+
InChIKeyKMJRDOJYALQIFZ-GQCTYLIASA-N
XLogP1.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-methylbut-2-enamide?
The IUPAC name of (E)-N-ethyl-N-methylbut-2-enamide (CID 88882032) is (E)-N-ethyl-N-methylbut-2-enamide.
What is the SMILES notation for (E)-N-ethyl-N-methylbut-2-enamide?
The canonical SMILES for (E)-N-ethyl-N-methylbut-2-enamide is C/C=C/C(=O)N(C)CC.
What is the InChIKey of (E)-N-ethyl-N-methylbut-2-enamide?
The InChIKey is KMJRDOJYALQIFZ-GQCTYLIASA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6-7(9)8(3)5-2/h4,6H,5H2,1-3H3/b6-4+.
What are the key properties of (E)-N-ethyl-N-methylbut-2-enamide?
(E)-N-ethyl-N-methylbut-2-enamide has a molecular weight of 127.19 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-methylbut-2-enamide is sourced from PubChem (CID 88882032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).