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

C8H16NO+ — CID 59816983

IUPACdimethyl-(4-methyl-3-oxopent-4-enyl)azanium
SMILESC=C(C)C(=O)CC[NH+](C)C
InChIInChI=1S/C8H15NO/c1-7(2)8(10)5-6-9(3)4/h1,5-6H2,2-4H3/p+1
InChIKeyILWGOCDXJYCPQQ-UHFFFAOYSA-O
MW142.22 g/mol
LogP-0.33
Rot. Bonds4

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

dimethyl-(4-methyl-3-oxopent-4-enyl)azanium (PubChem CID 59816983) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is dimethyl-(4-methyl-3-oxopent-4-enyl)azanium.

Molecular Properties

Compound Namedimethyl-(4-methyl-3-oxopent-4-enyl)azanium
PubChem CID59816983
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Namedimethyl-(4-methyl-3-oxopent-4-enyl)azanium
SMILESC=C(C)C(=O)CC[NH+](C)C
InChIInChI=1S/C8H15NO/c1-7(2)8(10)5-6-9(3)4/h1,5-6H2,2-4H3/p+1
InChIKeyILWGOCDXJYCPQQ-UHFFFAOYSA-O
XLogP-0.33
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-methyl-3-oxopent-4-enyl)azanium?
The IUPAC name of dimethyl-(4-methyl-3-oxopent-4-enyl)azanium (CID 59816983) is dimethyl-(4-methyl-3-oxopent-4-enyl)azanium.
What is the SMILES notation for dimethyl-(4-methyl-3-oxopent-4-enyl)azanium?
The canonical SMILES for dimethyl-(4-methyl-3-oxopent-4-enyl)azanium is C=C(C)C(=O)CC[NH+](C)C.
What is the InChIKey of dimethyl-(4-methyl-3-oxopent-4-enyl)azanium?
The InChIKey is ILWGOCDXJYCPQQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO/c1-7(2)8(10)5-6-9(3)4/h1,5-6H2,2-4H3/p+1.
What are the key properties of dimethyl-(4-methyl-3-oxopent-4-enyl)azanium?
dimethyl-(4-methyl-3-oxopent-4-enyl)azanium has a molecular weight of 142.22 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-methyl-3-oxopent-4-enyl)azanium is sourced from PubChem (CID 59816983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).