N-acetyl-N-ethenylacetamide

C6H9NO2 — CID 15657389

IUPACN-acetyl-N-ethenylacetamide
SMILESC=CN(C(C)=O)C(C)=O
InChIInChI=1S/C6H9NO2/c1-4-7(5(2)8)6(3)9/h4H,1H2,2-3H3
InChIKeyMPPGADSMHVXBLL-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.52
Rot. Bonds1

About N-acetyl-N-ethenylacetamide

N-acetyl-N-ethenylacetamide (PubChem CID 15657389) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is N-acetyl-N-ethenylacetamide.

Molecular Properties

Compound NameN-acetyl-N-ethenylacetamide
PubChem CID15657389
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC NameN-acetyl-N-ethenylacetamide
SMILESC=CN(C(C)=O)C(C)=O
InChIInChI=1S/C6H9NO2/c1-4-7(5(2)8)6(3)9/h4H,1H2,2-3H3
InChIKeyMPPGADSMHVXBLL-UHFFFAOYSA-N
XLogP0.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-ethenylacetamide?
The IUPAC name of N-acetyl-N-ethenylacetamide (CID 15657389) is N-acetyl-N-ethenylacetamide.
What is the SMILES notation for N-acetyl-N-ethenylacetamide?
The canonical SMILES for N-acetyl-N-ethenylacetamide is C=CN(C(C)=O)C(C)=O.
What is the InChIKey of N-acetyl-N-ethenylacetamide?
The InChIKey is MPPGADSMHVXBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-7(5(2)8)6(3)9/h4H,1H2,2-3H3.
What are the key properties of N-acetyl-N-ethenylacetamide?
N-acetyl-N-ethenylacetamide has a molecular weight of 127.14 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-ethenylacetamide is sourced from PubChem (CID 15657389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).