N-ethyl-2-methylprop-2-enamide

C6H10NO+ — CID 22964802

IUPACN-ethyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC[CH2+]
InChIInChI=1S/C6H9NO/c1-4-7-6(8)5(2)3/h1-2,4H2,3H3/p+1
InChIKeyFYOHMFDFPUFAIR-UHFFFAOYSA-O
MW112.15 g/mol
LogP0.51
Rot. Bonds2

About N-ethyl-2-methylprop-2-enamide

N-ethyl-2-methylprop-2-enamide (PubChem CID 22964802) has the molecular formula C6H10NO+ and a molecular weight of 112.15 g/mol. Its IUPAC name is N-ethyl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-methylprop-2-enamide
PubChem CID22964802
Molecular FormulaC6H10NO+
Molecular Weight112.15 g/mol
Exact Mass112.08
IUPAC NameN-ethyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC[CH2+]
InChIInChI=1S/C6H9NO/c1-4-7-6(8)5(2)3/h1-2,4H2,3H3/p+1
InChIKeyFYOHMFDFPUFAIR-UHFFFAOYSA-O
XLogP0.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylprop-2-enamide?
The IUPAC name of N-ethyl-2-methylprop-2-enamide (CID 22964802) is N-ethyl-2-methylprop-2-enamide.
What is the SMILES notation for N-ethyl-2-methylprop-2-enamide?
The canonical SMILES for N-ethyl-2-methylprop-2-enamide is C=C(C)C(=O)NC[CH2+].
What is the InChIKey of N-ethyl-2-methylprop-2-enamide?
The InChIKey is FYOHMFDFPUFAIR-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9NO/c1-4-7-6(8)5(2)3/h1-2,4H2,3H3/p+1.
What are the key properties of N-ethyl-2-methylprop-2-enamide?
N-ethyl-2-methylprop-2-enamide has a molecular weight of 112.15 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylprop-2-enamide is sourced from PubChem (CID 22964802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).