pent-3-enoate;triethylazanium

C11H23NO2 — CID 85365224

IUPACpent-3-enoate;triethylazanium
SMILESCC=CCC(=O)[O-].CC[NH+](CC)CC
InChIInChI=1S/C6H15N.C5H8O2/c1-4-7(5-2)6-3;1-2-3-4-5(6)7/h4-6H2,1-3H3;2-3H,4H2,1H3,(H,6,7)
InChIKeyMRTISLFUZIGOTH-UHFFFAOYSA-N
MW201.31 g/mol
LogP-0.37
Rot. Bonds5

About pent-3-enoate;triethylazanium

pent-3-enoate;triethylazanium (PubChem CID 85365224) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is pent-3-enoate;triethylazanium.

Molecular Properties

Compound Namepent-3-enoate;triethylazanium
PubChem CID85365224
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namepent-3-enoate;triethylazanium
SMILESCC=CCC(=O)[O-].CC[NH+](CC)CC
InChIInChI=1S/C6H15N.C5H8O2/c1-4-7(5-2)6-3;1-2-3-4-5(6)7/h4-6H2,1-3H3;2-3H,4H2,1H3,(H,6,7)
InChIKeyMRTISLFUZIGOTH-UHFFFAOYSA-N
XLogP-0.37
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pent-3-enoate;triethylazanium?
The IUPAC name of pent-3-enoate;triethylazanium (CID 85365224) is pent-3-enoate;triethylazanium.
What is the SMILES notation for pent-3-enoate;triethylazanium?
The canonical SMILES for pent-3-enoate;triethylazanium is CC=CCC(=O)[O-].CC[NH+](CC)CC.
What is the InChIKey of pent-3-enoate;triethylazanium?
The InChIKey is MRTISLFUZIGOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C5H8O2/c1-4-7(5-2)6-3;1-2-3-4-5(6)7/h4-6H2,1-3H3;2-3H,4H2,1H3,(H,6,7).
What are the key properties of pent-3-enoate;triethylazanium?
pent-3-enoate;triethylazanium has a molecular weight of 201.31 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-enoate;triethylazanium is sourced from PubChem (CID 85365224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).