N-ethyl-2-methylprop-2-enamide

C6H11NO — CID 10313114

IUPACN-ethyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC
InChIInChI=1S/C6H11NO/c1-4-7-6(8)5(2)3/h2,4H2,1,3H3,(H,7,8)
InChIKeyZIWDVJPPVMGJGR-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds2

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

N-ethyl-2-methylprop-2-enamide (PubChem CID 10313114) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-ethyl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-methylprop-2-enamide
PubChem CID10313114
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-ethyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC
InChIInChI=1S/C6H11NO/c1-4-7-6(8)5(2)3/h2,4H2,1,3H3,(H,7,8)
InChIKeyZIWDVJPPVMGJGR-UHFFFAOYSA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
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 N-ethyl-2-methylprop-2-enamide?
The IUPAC name of N-ethyl-2-methylprop-2-enamide (CID 10313114) 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)NCC.
What is the InChIKey of N-ethyl-2-methylprop-2-enamide?
The InChIKey is ZIWDVJPPVMGJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-7-6(8)5(2)3/h2,4H2,1,3H3,(H,7,8).
What are the key properties of N-ethyl-2-methylprop-2-enamide?
N-ethyl-2-methylprop-2-enamide has a molecular weight of 113.16 g/mol, XLogP of 0.70, 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 10313114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).