N-ethenyl-2-methylprop-2-enamide

C6H9NO — CID 22476827

IUPACN-ethenyl-2-methylprop-2-enamide
SMILESC=CNC(=O)C(=C)C
InChIInChI=1S/C6H9NO/c1-4-7-6(8)5(2)3/h4H,1-2H2,3H3,(H,7,8)
InChIKeyMRUJSNSDPBZNHO-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.82
Rot. Bonds2

About N-ethenyl-2-methylprop-2-enamide

N-ethenyl-2-methylprop-2-enamide (PubChem CID 22476827) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is N-ethenyl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-ethenyl-2-methylprop-2-enamide
PubChem CID22476827
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC NameN-ethenyl-2-methylprop-2-enamide
SMILESC=CNC(=O)C(=C)C
InChIInChI=1S/C6H9NO/c1-4-7-6(8)5(2)3/h4H,1-2H2,3H3,(H,7,8)
InChIKeyMRUJSNSDPBZNHO-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.82
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-ethenyl-2-methylprop-2-enamide?
The IUPAC name of N-ethenyl-2-methylprop-2-enamide (CID 22476827) is N-ethenyl-2-methylprop-2-enamide.
What is the SMILES notation for N-ethenyl-2-methylprop-2-enamide?
The canonical SMILES for N-ethenyl-2-methylprop-2-enamide is C=CNC(=O)C(=C)C.
What is the InChIKey of N-ethenyl-2-methylprop-2-enamide?
The InChIKey is MRUJSNSDPBZNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-4-7-6(8)5(2)3/h4H,1-2H2,3H3,(H,7,8).
What are the key properties of N-ethenyl-2-methylprop-2-enamide?
N-ethenyl-2-methylprop-2-enamide has a molecular weight of 111.14 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methylprop-2-enamide is sourced from PubChem (CID 22476827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).