(E)-N,N-diethylbut-2-enamide

C8H15NO — CID 5354453

IUPAC(E)-N,N-diethylbut-2-enamide
SMILESC/C=C/C(=O)N(CC)CC
InChIInChI=1S/C8H15NO/c1-4-7-8(10)9(5-2)6-3/h4,7H,5-6H2,1-3H3/b7-4+
InChIKeyTXHUHDDZTWDOAJ-QPJJXVBHSA-N
MW141.21 g/mol
LogP1.43
Rot. Bonds3

About (E)-N,N-diethylbut-2-enamide

(E)-N,N-diethylbut-2-enamide (PubChem CID 5354453) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-N,N-diethylbut-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethylbut-2-enamide
PubChem CID5354453
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-N,N-diethylbut-2-enamide
SMILESC/C=C/C(=O)N(CC)CC
InChIInChI=1S/C8H15NO/c1-4-7-8(10)9(5-2)6-3/h4,7H,5-6H2,1-3H3/b7-4+
InChIKeyTXHUHDDZTWDOAJ-QPJJXVBHSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.43
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,N-diethylbut-2-enamide?
The IUPAC name of (E)-N,N-diethylbut-2-enamide (CID 5354453) is (E)-N,N-diethylbut-2-enamide.
What is the SMILES notation for (E)-N,N-diethylbut-2-enamide?
The canonical SMILES for (E)-N,N-diethylbut-2-enamide is C/C=C/C(=O)N(CC)CC.
What is the InChIKey of (E)-N,N-diethylbut-2-enamide?
The InChIKey is TXHUHDDZTWDOAJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-7-8(10)9(5-2)6-3/h4,7H,5-6H2,1-3H3/b7-4+.
What are the key properties of (E)-N,N-diethylbut-2-enamide?
(E)-N,N-diethylbut-2-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethylbut-2-enamide is sourced from PubChem (CID 5354453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).