diethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium

C11H22NO+ — CID 23154910

IUPACdiethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium
SMILESC=C(C)C(=O)CC[N+](C)(CC)CC
InChIInChI=1S/C11H22NO/c1-6-12(5,7-2)9-8-11(13)10(3)4/h3,6-9H2,1-2,4-5H3/q+1
InChIKeyWSPWNZUVENXQBG-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.01
Rot. Bonds6

About diethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium

diethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium (PubChem CID 23154910) has the molecular formula C11H22NO+ and a molecular weight of 184.30 g/mol. Its IUPAC name is diethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium.

Molecular Properties

Compound Namediethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium
PubChem CID23154910
Molecular FormulaC11H22NO+
Molecular Weight184.30 g/mol
Exact Mass184.17
IUPAC Namediethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium
SMILESC=C(C)C(=O)CC[N+](C)(CC)CC
InChIInChI=1S/C11H22NO/c1-6-12(5,7-2)9-8-11(13)10(3)4/h3,6-9H2,1-2,4-5H3/q+1
InChIKeyWSPWNZUVENXQBG-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium?
The IUPAC name of diethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium (CID 23154910) is diethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium.
What is the SMILES notation for diethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium?
The canonical SMILES for diethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium is C=C(C)C(=O)CC[N+](C)(CC)CC.
What is the InChIKey of diethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium?
The InChIKey is WSPWNZUVENXQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO/c1-6-12(5,7-2)9-8-11(13)10(3)4/h3,6-9H2,1-2,4-5H3/q+1.
What are the key properties of diethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium?
diethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium has a molecular weight of 184.30 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-(4-methyl-3-oxopent-4-enyl)azanium is sourced from PubChem (CID 23154910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).