(E)-4-(diethylamino)but-2-enamide

C8H16N2O — CID 10797010

IUPAC(E)-4-(diethylamino)but-2-enamide
SMILESCCN(CC)C/C=C/C(N)=O
InChIInChI=1S/C8H16N2O/c1-3-10(4-2)7-5-6-8(9)11/h5-6H,3-4,7H2,1-2H3,(H2,9,11)/b6-5+
InChIKeySFPGNABUJLHMNQ-AATRIKPKSA-N
MW156.23 g/mol
LogP0.37
Rot. Bonds5

About (E)-4-(diethylamino)but-2-enamide

(E)-4-(diethylamino)but-2-enamide (PubChem CID 10797010) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (E)-4-(diethylamino)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(diethylamino)but-2-enamide
PubChem CID10797010
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(E)-4-(diethylamino)but-2-enamide
SMILESCCN(CC)C/C=C/C(N)=O
InChIInChI=1S/C8H16N2O/c1-3-10(4-2)7-5-6-8(9)11/h5-6H,3-4,7H2,1-2H3,(H2,9,11)/b6-5+
InChIKeySFPGNABUJLHMNQ-AATRIKPKSA-N
XLogP0.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-4-(diethylamino)but-2-enamide?
The IUPAC name of (E)-4-(diethylamino)but-2-enamide (CID 10797010) is (E)-4-(diethylamino)but-2-enamide.
What is the SMILES notation for (E)-4-(diethylamino)but-2-enamide?
The canonical SMILES for (E)-4-(diethylamino)but-2-enamide is CCN(CC)C/C=C/C(N)=O.
What is the InChIKey of (E)-4-(diethylamino)but-2-enamide?
The InChIKey is SFPGNABUJLHMNQ-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-10(4-2)7-5-6-8(9)11/h5-6H,3-4,7H2,1-2H3,(H2,9,11)/b6-5+.
What are the key properties of (E)-4-(diethylamino)but-2-enamide?
(E)-4-(diethylamino)but-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(diethylamino)but-2-enamide is sourced from PubChem (CID 10797010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).