tris(prop-2-enyl)azanium acetate

C11H19NO2 — CID 87689086

IUPACtris(prop-2-enyl)azanium acetate
SMILESC=CC[NH+](CC=C)CC=C.CC(=O)[O-]
InChIInChI=1S/C9H15N.C2H4O2/c1-4-7-10(8-5-2)9-6-3;1-2(3)4/h4-6H,1-3,7-9H2;1H3,(H,3,4)
InChIKeyBMIADXJTKAKMBC-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.81
Rot. Bonds6

About tris(prop-2-enyl)azanium acetate

tris(prop-2-enyl)azanium acetate (PubChem CID 87689086) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is tris(prop-2-enyl)azanium acetate.

Molecular Properties

Compound Nametris(prop-2-enyl)azanium acetate
PubChem CID87689086
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametris(prop-2-enyl)azanium acetate
SMILESC=CC[NH+](CC=C)CC=C.CC(=O)[O-]
InChIInChI=1S/C9H15N.C2H4O2/c1-4-7-10(8-5-2)9-6-3;1-2(3)4/h4-6H,1-3,7-9H2;1H3,(H,3,4)
InChIKeyBMIADXJTKAKMBC-UHFFFAOYSA-N
XLogP-0.81
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetyl-bis(prop-2-enyl)azanium
CID 173290878
tetrakis(prop-2-enyl)phosphanium acetate
CID 87134475
diazanium;prop-1-ene;diacetate
CID 159968490
3-[diethoxyphosphorylmethyl(prop-2-enyl)azaniumyl]propanoate
CID 2252002
dipotassium;3-bromoprop-1-ene;carbonate
CID 86748963
2-[(4-propan-2-ylphenyl)methyl-prop-2-enylazaniumyl]acetate
CID 39349842
copper;prop-2-enenitrile;diacetate
CID 175223345
azanium but-3-enoate
CID 87111540
phosphanylphosphanium acetate
CID 162334335
pentasodium;ethene;pentaacetate
CID 172708449
3-oxobutanoate;prop-2-enoate
CID 21216987
azanium;prop-2-enamide;acetate
CID 172806462

Frequently Asked Questions

What is the IUPAC name of tris(prop-2-enyl)azanium acetate?
The IUPAC name of tris(prop-2-enyl)azanium acetate (CID 87689086) is tris(prop-2-enyl)azanium acetate.
What is the SMILES notation for tris(prop-2-enyl)azanium acetate?
The canonical SMILES for tris(prop-2-enyl)azanium acetate is C=CC[NH+](CC=C)CC=C.CC(=O)[O-].
What is the InChIKey of tris(prop-2-enyl)azanium acetate?
The InChIKey is BMIADXJTKAKMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.C2H4O2/c1-4-7-10(8-5-2)9-6-3;1-2(3)4/h4-6H,1-3,7-9H2;1H3,(H,3,4).
What are the key properties of tris(prop-2-enyl)azanium acetate?
tris(prop-2-enyl)azanium acetate has a molecular weight of 197.28 g/mol, XLogP of -0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tris(prop-2-enyl)azanium acetate is sourced from PubChem (CID 87689086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).