acetyl-tris(prop-1-en-2-yl)azanium

C11H18NO+ — CID 163928690

IUPACacetyl-tris(prop-1-en-2-yl)azanium
SMILESC=C(C)[N+](C(=C)C)(C(=C)C)C(C)=O
InChIInChI=1S/C11H18NO/c1-8(2)12(9(3)4,10(5)6)11(7)13/h1,3,5H2,2,4,6-7H3/q+1
InChIKeySMRUMUMEADILPU-UHFFFAOYSA-N
MW180.27 g/mol
LogP2.95
Rot. Bonds3

About acetyl-tris(prop-1-en-2-yl)azanium

acetyl-tris(prop-1-en-2-yl)azanium (PubChem CID 163928690) has the molecular formula C11H18NO+ and a molecular weight of 180.27 g/mol. Its IUPAC name is acetyl-tris(prop-1-en-2-yl)azanium.

Molecular Properties

Compound Nameacetyl-tris(prop-1-en-2-yl)azanium
PubChem CID163928690
Molecular FormulaC11H18NO+
Molecular Weight180.27 g/mol
Exact Mass180.14
IUPAC Nameacetyl-tris(prop-1-en-2-yl)azanium
SMILESC=C(C)[N+](C(=C)C)(C(=C)C)C(C)=O
InChIInChI=1S/C11H18NO/c1-8(2)12(9(3)4,10(5)6)11(7)13/h1,3,5H2,2,4,6-7H3/q+1
InChIKeySMRUMUMEADILPU-UHFFFAOYSA-N
XLogP2.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of acetyl-tris(prop-1-en-2-yl)azanium?
The IUPAC name of acetyl-tris(prop-1-en-2-yl)azanium (CID 163928690) is acetyl-tris(prop-1-en-2-yl)azanium.
What is the SMILES notation for acetyl-tris(prop-1-en-2-yl)azanium?
The canonical SMILES for acetyl-tris(prop-1-en-2-yl)azanium is C=C(C)[N+](C(=C)C)(C(=C)C)C(C)=O.
What is the InChIKey of acetyl-tris(prop-1-en-2-yl)azanium?
The InChIKey is SMRUMUMEADILPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO/c1-8(2)12(9(3)4,10(5)6)11(7)13/h1,3,5H2,2,4,6-7H3/q+1.
What are the key properties of acetyl-tris(prop-1-en-2-yl)azanium?
acetyl-tris(prop-1-en-2-yl)azanium has a molecular weight of 180.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-tris(prop-1-en-2-yl)azanium is sourced from PubChem (CID 163928690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).