(E)-4-[ethyl(methyl)amino]but-2-enamide

C7H14N2O — CID 10678354

IUPAC(E)-4-[ethyl(methyl)amino]but-2-enamide
SMILESCCN(C)C/C=C/C(N)=O
InChIInChI=1S/C7H14N2O/c1-3-9(2)6-4-5-7(8)10/h4-5H,3,6H2,1-2H3,(H2,8,10)/b5-4+
InChIKeyXPLXFMMMTWXRIP-SNAWJCMRSA-N
MW142.20 g/mol
LogP-0.02
Rot. Bonds4

About (E)-4-[ethyl(methyl)amino]but-2-enamide

(E)-4-[ethyl(methyl)amino]but-2-enamide (PubChem CID 10678354) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (E)-4-[ethyl(methyl)amino]but-2-enamide.

Molecular Properties

Compound Name(E)-4-[ethyl(methyl)amino]but-2-enamide
PubChem CID10678354
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(E)-4-[ethyl(methyl)amino]but-2-enamide
SMILESCCN(C)C/C=C/C(N)=O
InChIInChI=1S/C7H14N2O/c1-3-9(2)6-4-5-7(8)10/h4-5H,3,6H2,1-2H3,(H2,8,10)/b5-4+
InChIKeyXPLXFMMMTWXRIP-SNAWJCMRSA-N
XLogP-0.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.02
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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Related Compounds

CID 168563
CID 168563
CID 20813441
CID 20813441
CID 6455829
CID 6455829
CID 5354840
CID 5354840
CID 10582800
CID 10582800
CID 122243080
CID 122243080
CID 134163223
CID 134163223
CID 134163228
CID 134163228
CID 23271055
CID 23271055
CID 23514292
CID 23514292
CID 54514979
CID 54514979
CID 121605740
CID 121605740

Frequently Asked Questions

What is the IUPAC name of (E)-4-[ethyl(methyl)amino]but-2-enamide?
The IUPAC name of (E)-4-[ethyl(methyl)amino]but-2-enamide (CID 10678354) is (E)-4-[ethyl(methyl)amino]but-2-enamide.
What is the SMILES notation for (E)-4-[ethyl(methyl)amino]but-2-enamide?
The canonical SMILES for (E)-4-[ethyl(methyl)amino]but-2-enamide is CCN(C)C/C=C/C(N)=O.
What is the InChIKey of (E)-4-[ethyl(methyl)amino]but-2-enamide?
The InChIKey is XPLXFMMMTWXRIP-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-9(2)6-4-5-7(8)10/h4-5H,3,6H2,1-2H3,(H2,8,10)/b5-4+.
What are the key properties of (E)-4-[ethyl(methyl)amino]but-2-enamide?
(E)-4-[ethyl(methyl)amino]but-2-enamide has a molecular weight of 142.20 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[ethyl(methyl)amino]but-2-enamide is sourced from PubChem (CID 10678354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).