acetyl-bis(ethenyl)-ethylazanium

C8H14NO+ — CID 87190243

IUPACacetyl-bis(ethenyl)-ethylazanium
SMILESC=C[N+](C=C)(CC)C(C)=O
InChIInChI=1S/C8H14NO/c1-5-9(6-2,7-3)8(4)10/h5-6H,1-2,7H2,3-4H3/q+1
InChIKeyBPHKDNZNENYLHT-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.66
Rot. Bonds3

About acetyl-bis(ethenyl)-ethylazanium

acetyl-bis(ethenyl)-ethylazanium (PubChem CID 87190243) has the molecular formula C8H14NO+ and a molecular weight of 140.21 g/mol. Its IUPAC name is acetyl-bis(ethenyl)-ethylazanium.

Molecular Properties

Compound Nameacetyl-bis(ethenyl)-ethylazanium
PubChem CID87190243
Molecular FormulaC8H14NO+
Molecular Weight140.21 g/mol
Exact Mass140.11
IUPAC Nameacetyl-bis(ethenyl)-ethylazanium
SMILESC=C[N+](C=C)(CC)C(C)=O
InChIInChI=1S/C8H14NO/c1-5-9(6-2,7-3)8(4)10/h5-6H,1-2,7H2,3-4H3/q+1
InChIKeyBPHKDNZNENYLHT-UHFFFAOYSA-N
XLogP1.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-Methyl-N-vinylacetamide
CID 18530
N-Ethenyl-N-ethylacetamide
CID 18531
N-acetyl-N-ethenylacetamide
CID 15657389
N-butyl-N-ethenylacetamide
CID 13204153
CID 157708874
CID 157708874
N-[(E)-prop-1-enyl]-N-propylacetamide
CID 13169221
N-Ethenyl-N-propylacetamide
CID 13169219
N-ethenyl-N-propylpropanamide
CID 13169225
N-ethenyl-N-ethylpropanamide
CID 13805733
N-Butyl-N-ethenylpropanamide
CID 13805734
1-(4-Acetylpyrazin-1-yl)ethanone
CID 14359230
N-ethenyl-N-ethyl-2-methylpropanamide
CID 20544586

Frequently Asked Questions

What is the IUPAC name of acetyl-bis(ethenyl)-ethylazanium?
The IUPAC name of acetyl-bis(ethenyl)-ethylazanium (CID 87190243) is acetyl-bis(ethenyl)-ethylazanium.
What is the SMILES notation for acetyl-bis(ethenyl)-ethylazanium?
The canonical SMILES for acetyl-bis(ethenyl)-ethylazanium is C=C[N+](C=C)(CC)C(C)=O.
What is the InChIKey of acetyl-bis(ethenyl)-ethylazanium?
The InChIKey is BPHKDNZNENYLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO/c1-5-9(6-2,7-3)8(4)10/h5-6H,1-2,7H2,3-4H3/q+1.
What are the key properties of acetyl-bis(ethenyl)-ethylazanium?
acetyl-bis(ethenyl)-ethylazanium has a molecular weight of 140.21 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-bis(ethenyl)-ethylazanium is sourced from PubChem (CID 87190243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).