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

C6H11NO — CID 5365902

IUPAC(E)-N,N-dimethylbut-2-enamide
SMILESC/C=C/C(=O)N(C)C
InChIInChI=1S/C6H11NO/c1-4-5-6(8)7(2)3/h4-5H,1-3H3/b5-4+
InChIKeyVPFXWMDVXYAJGV-SNAWJCMRSA-N
MW113.16 g/mol
LogP0.65
Rot. Bonds1

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

(E)-N,N-dimethylbut-2-enamide (PubChem CID 5365902) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-N,N-dimethylbut-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethylbut-2-enamide
PubChem CID5365902
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(E)-N,N-dimethylbut-2-enamide
SMILESC/C=C/C(=O)N(C)C
InChIInChI=1S/C6H11NO/c1-4-5-6(8)7(2)3/h4-5H,1-3H3/b5-4+
InChIKeyVPFXWMDVXYAJGV-SNAWJCMRSA-N
XLogP0.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.65
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-dimethylbut-2-enamide?
The IUPAC name of (E)-N,N-dimethylbut-2-enamide (CID 5365902) is (E)-N,N-dimethylbut-2-enamide.
What is the SMILES notation for (E)-N,N-dimethylbut-2-enamide?
The canonical SMILES for (E)-N,N-dimethylbut-2-enamide is C/C=C/C(=O)N(C)C.
What is the InChIKey of (E)-N,N-dimethylbut-2-enamide?
The InChIKey is VPFXWMDVXYAJGV-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-5-6(8)7(2)3/h4-5H,1-3H3/b5-4+.
What are the key properties of (E)-N,N-dimethylbut-2-enamide?
(E)-N,N-dimethylbut-2-enamide has a molecular weight of 113.16 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethylbut-2-enamide is sourced from PubChem (CID 5365902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).