tetrakis(prop-2-enyl)azanium acetate

C14H23NO2 — CID 87097538

IUPACtetrakis(prop-2-enyl)azanium acetate
SMILESC=CC[N+](CC=C)(CC=C)CC=C.CC(=O)[O-]
InChIInChI=1S/C12H20N.C2H4O2/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-2(3)4/h5-8H,1-4,9-12H2;1H3,(H,3,4)/q+1;/p-1
InChIKeyFUOGWOBQVKIHLM-UHFFFAOYSA-M
MW237.34 g/mol
LogP1.30
Rot. Bonds8

About tetrakis(prop-2-enyl)azanium acetate

tetrakis(prop-2-enyl)azanium acetate (PubChem CID 87097538) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tetrakis(prop-2-enyl)azanium acetate.

Molecular Properties

Compound Nametetrakis(prop-2-enyl)azanium acetate
PubChem CID87097538
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametetrakis(prop-2-enyl)azanium acetate
SMILESC=CC[N+](CC=C)(CC=C)CC=C.CC(=O)[O-]
InChIInChI=1S/C12H20N.C2H4O2/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-2(3)4/h5-8H,1-4,9-12H2;1H3,(H,3,4)/q+1;/p-1
InChIKeyFUOGWOBQVKIHLM-UHFFFAOYSA-M
XLogP1.30
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(prop-2-enyl)azanium acetate?
The IUPAC name of tetrakis(prop-2-enyl)azanium acetate (CID 87097538) is tetrakis(prop-2-enyl)azanium acetate.
What is the SMILES notation for tetrakis(prop-2-enyl)azanium acetate?
The canonical SMILES for tetrakis(prop-2-enyl)azanium acetate is C=CC[N+](CC=C)(CC=C)CC=C.CC(=O)[O-].
What is the InChIKey of tetrakis(prop-2-enyl)azanium acetate?
The InChIKey is FUOGWOBQVKIHLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H20N.C2H4O2/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-2(3)4/h5-8H,1-4,9-12H2;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of tetrakis(prop-2-enyl)azanium acetate?
tetrakis(prop-2-enyl)azanium acetate has a molecular weight of 237.34 g/mol, XLogP of 1.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(prop-2-enyl)azanium acetate is sourced from PubChem (CID 87097538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).