trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium

C9H18NO+ — CID 19069946

IUPACtrimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium
SMILESC=C(C)C(=O)C(C)[N+](C)(C)C
InChIInChI=1S/C9H18NO/c1-7(2)9(11)8(3)10(4,5)6/h8H,1H2,2-6H3/q+1
InChIKeyBAOZZZZLHQWEFQ-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.23
Rot. Bonds3

About trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium

trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium (PubChem CID 19069946) has the molecular formula C9H18NO+ and a molecular weight of 156.25 g/mol. Its IUPAC name is trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium.

Molecular Properties

Compound Nametrimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium
PubChem CID19069946
Molecular FormulaC9H18NO+
Molecular Weight156.25 g/mol
Exact Mass156.14
IUPAC Nametrimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium
SMILESC=C(C)C(=O)C(C)[N+](C)(C)C
InChIInChI=1S/C9H18NO/c1-7(2)9(11)8(3)10(4,5)6/h8H,1H2,2-6H3/q+1
InChIKeyBAOZZZZLHQWEFQ-UHFFFAOYSA-N
XLogP1.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.23
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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Related Compounds

(Meth)acryloylethyltrimethylammonium chloride
CID 20231506
Trimethyl-(4-methyl-3-oxopent-4-enyl)azanium
CID 20231510
2-(Methacryloyl) ethyltrimethylammonium chloride
CID 22228773
Ethyl-dimethyl-(3-methyl-2-oxobut-3-enyl)azanium chloride
CID 86692169
5-(Dimethylamino)-2-methylpent-1-en-3-one
CID 18510003
Trimethyl(4-oxohex-5-en-3-yl)azanium
CID 18504371
5-(Diethylamino)-2-methylpent-1-en-3-one
CID 18510002
1-(Dimethylamino)-3-methylbut-3-en-2-one
CID 18730264
Trimethyl(3-oxopent-4-en-2-yl)azanium
CID 18920729
Trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium iodide
CID 19069945
1-(Diethylamino)-3-methylbut-3-en-2-one
CID 19599009
4-(Dimethylamino)-2-methylpent-1-en-3-one
CID 20080154

Frequently Asked Questions

What is the IUPAC name of trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium?
The IUPAC name of trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium (CID 19069946) is trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium.
What is the SMILES notation for trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium?
The canonical SMILES for trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium is C=C(C)C(=O)C(C)[N+](C)(C)C.
What is the InChIKey of trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium?
The InChIKey is BAOZZZZLHQWEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO/c1-7(2)9(11)8(3)10(4,5)6/h8H,1H2,2-6H3/q+1.
What are the key properties of trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium?
trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium has a molecular weight of 156.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium is sourced from PubChem (CID 19069946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).