acetyl(ethylidene)azanium

C4H8NO+ — CID 59317651

IUPACacetyl(ethylidene)azanium
SMILESC/C=[NH+]/C(C)=O
InChIInChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1-2H3/p+1/b5-3+
InChIKeyGIBNSWPQESNKRG-HWKANZROSA-O
MW86.11 g/mol
LogP-1.30
Rot. Bonds

About acetyl(ethylidene)azanium

acetyl(ethylidene)azanium (PubChem CID 59317651) has the molecular formula C4H8NO+ and a molecular weight of 86.11 g/mol. Its IUPAC name is acetyl(ethylidene)azanium.

Molecular Properties

Compound Nameacetyl(ethylidene)azanium
PubChem CID59317651
Molecular FormulaC4H8NO+
Molecular Weight86.11 g/mol
Exact Mass86.06
IUPAC Nameacetyl(ethylidene)azanium
SMILESC/C=[NH+]/C(C)=O
InChIInChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1-2H3/p+1/b5-3+
InChIKeyGIBNSWPQESNKRG-HWKANZROSA-O
XLogP-1.30
TPSA31.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetyl(ethylidene)azanium?
The IUPAC name of acetyl(ethylidene)azanium (CID 59317651) is acetyl(ethylidene)azanium.
What is the SMILES notation for acetyl(ethylidene)azanium?
The canonical SMILES for acetyl(ethylidene)azanium is C/C=[NH+]/C(C)=O.
What is the InChIKey of acetyl(ethylidene)azanium?
The InChIKey is GIBNSWPQESNKRG-HWKANZROSA-O. The full InChI is InChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1-2H3/p+1/b5-3+.
What are the key properties of acetyl(ethylidene)azanium?
acetyl(ethylidene)azanium has a molecular weight of 86.11 g/mol, XLogP of -1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(ethylidene)azanium is sourced from PubChem (CID 59317651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).