(2-amino-3-oxopent-4-enyl)-triethylazanium chloride

C11H23ClN2O — CID 161230326

IUPAC(2-amino-3-oxopent-4-enyl)-triethylazanium chloride
SMILESC=CC(=O)C(N)C[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C11H23N2O.ClH/c1-5-11(14)10(12)9-13(6-2,7-3)8-4;/h5,10H,1,6-9,12H2,2-4H3;1H/q+1;/p-1
InChIKeyADCYPNVCJQYGMA-UHFFFAOYSA-M
MW234.77 g/mol
LogP-2.05
Rot. Bonds7

About (2-amino-3-oxopent-4-enyl)-triethylazanium chloride

(2-amino-3-oxopent-4-enyl)-triethylazanium chloride (PubChem CID 161230326) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is (2-amino-3-oxopent-4-enyl)-triethylazanium chloride.

Molecular Properties

Compound Name(2-amino-3-oxopent-4-enyl)-triethylazanium chloride
PubChem CID161230326
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC Name(2-amino-3-oxopent-4-enyl)-triethylazanium chloride
SMILESC=CC(=O)C(N)C[N+](CC)(CC)CC.[Cl-]
InChIInChI=1S/C11H23N2O.ClH/c1-5-11(14)10(12)9-13(6-2,7-3)8-4;/h5,10H,1,6-9,12H2,2-4H3;1H/q+1;/p-1
InChIKeyADCYPNVCJQYGMA-UHFFFAOYSA-M
XLogP-2.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 5-2.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

prop-2-enamide;tetraethylazanium
CID 160757497
4-amino-5-(diethylamino)pent-1-en-3-one
CID 88510307
4-aminononadec-1-en-3-one
CID 141408197
4-aminotridec-1-en-3-one
CID 168863817
4-amino-5-sulfanylpent-1-en-3-one
CID 18331998
diethyl-(2-hydroxy-3-oxopent-4-enyl)-methylazanium
CID 88595815
4-amino-7-methoxyhept-1-en-3-one
CID 116593727
diethyl(dimethyl)azanium;prop-2-enamide
CID 19752026
triethyl-[(prop-2-enoylamino)methyl]azanium chloride
CID 87449058
heptane-3,4,5-triamine;bis(prop-2-enamide)
CID 87098922
2-aminopropanoic acid;tetraethylazanium
CID 175034793
4-methylhex-1-en-3-one
CID 15724302

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-oxopent-4-enyl)-triethylazanium chloride?
The IUPAC name of (2-amino-3-oxopent-4-enyl)-triethylazanium chloride (CID 161230326) is (2-amino-3-oxopent-4-enyl)-triethylazanium chloride.
What is the SMILES notation for (2-amino-3-oxopent-4-enyl)-triethylazanium chloride?
The canonical SMILES for (2-amino-3-oxopent-4-enyl)-triethylazanium chloride is C=CC(=O)C(N)C[N+](CC)(CC)CC.[Cl-].
What is the InChIKey of (2-amino-3-oxopent-4-enyl)-triethylazanium chloride?
The InChIKey is ADCYPNVCJQYGMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H23N2O.ClH/c1-5-11(14)10(12)9-13(6-2,7-3)8-4;/h5,10H,1,6-9,12H2,2-4H3;1H/q+1;/p-1.
What are the key properties of (2-amino-3-oxopent-4-enyl)-triethylazanium chloride?
(2-amino-3-oxopent-4-enyl)-triethylazanium chloride has a molecular weight of 234.77 g/mol, XLogP of -2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-oxopent-4-enyl)-triethylazanium chloride is sourced from PubChem (CID 161230326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).