(E)-N,N-diethyl-2-methylbut-2-enamide

C9H17NO — CID 5367824

IUPAC(E)-N,N-diethyl-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)N(CC)CC
InChIInChI=1S/C9H17NO/c1-5-8(4)9(11)10(6-2)7-3/h5H,6-7H2,1-4H3/b8-5+
InChIKeyFKTDBDLCSXPFJU-VMPITWQZSA-N
MW155.24 g/mol
LogP1.82
Rot. Bonds3

About (E)-N,N-diethyl-2-methylbut-2-enamide

(E)-N,N-diethyl-2-methylbut-2-enamide (PubChem CID 5367824) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-N,N-diethyl-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-2-methylbut-2-enamide
PubChem CID5367824
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-N,N-diethyl-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)N(CC)CC
InChIInChI=1S/C9H17NO/c1-5-8(4)9(11)10(6-2)7-3/h5H,6-7H2,1-4H3/b8-5+
InChIKeyFKTDBDLCSXPFJU-VMPITWQZSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.82
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-diethyl-2-methylbut-2-enamide?
The IUPAC name of (E)-N,N-diethyl-2-methylbut-2-enamide (CID 5367824) is (E)-N,N-diethyl-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-2-methylbut-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-2-methylbut-2-enamide is C/C=C(\C)C(=O)N(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-2-methylbut-2-enamide?
The InChIKey is FKTDBDLCSXPFJU-VMPITWQZSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-8(4)9(11)10(6-2)7-3/h5H,6-7H2,1-4H3/b8-5+.
What are the key properties of (E)-N,N-diethyl-2-methylbut-2-enamide?
(E)-N,N-diethyl-2-methylbut-2-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-2-methylbut-2-enamide is sourced from PubChem (CID 5367824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).