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

C9H18INO — CID 19069945

IUPACtrimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium iodide
SMILESC=C(C)C(=O)C(C)[N+](C)(C)C.[I-]
InChIInChI=1S/C9H18NO.HI/c1-7(2)9(11)8(3)10(4,5)6;/h8H,1H2,2-6H3;1H/q+1;/p-1
InChIKeySRQACRNOTVOWCN-UHFFFAOYSA-M
MW283.15 g/mol
LogP-1.77
Rot. Bonds3

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

trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium iodide (PubChem CID 19069945) has the molecular formula C9H18INO and a molecular weight of 283.15 g/mol. Its IUPAC name is trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium iodide.

Molecular Properties

Compound Nametrimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium iodide
PubChem CID19069945
Molecular FormulaC9H18INO
Molecular Weight283.15 g/mol
Exact Mass283.04
IUPAC Nametrimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium iodide
SMILESC=C(C)C(=O)C(C)[N+](C)(C)C.[I-]
InChIInChI=1S/C9H18NO.HI/c1-7(2)9(11)8(3)10(4,5)6;/h8H,1H2,2-6H3;1H/q+1;/p-1
InChIKeySRQACRNOTVOWCN-UHFFFAOYSA-M
XLogP-1.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 5-1.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'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
Demm-I
CID 23154909
Ethyl-dimethyl-(3-methyl-2-oxobut-3-enyl)azanium chloride
CID 86692169
Trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium
CID 19069946
1-(Diethylamino)-3-methylbut-3-en-2-one
CID 19599009
4-(Dimethylamino)-2-methylpent-1-en-3-one
CID 20080154
Trimethyl-(3-methyl-2-oxobut-3-enyl)azanium chloride
CID 20231507
Trimethyl-(3-methyl-2-oxobut-3-enyl)azanium
CID 20231508
(E)-2-(dimethylamino)-4-methylhex-4-en-3-one
CID 20669988
Methyl sulfate;trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium
CID 22165049
Trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium bromide
CID 22461343

Frequently Asked Questions

What is the IUPAC name of trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium iodide?
The IUPAC name of trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium iodide (CID 19069945) is trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium iodide.
What is the SMILES notation for trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium iodide?
The canonical SMILES for trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium iodide is C=C(C)C(=O)C(C)[N+](C)(C)C.[I-].
What is the InChIKey of trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium iodide?
The InChIKey is SRQACRNOTVOWCN-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18NO.HI/c1-7(2)9(11)8(3)10(4,5)6;/h8H,1H2,2-6H3;1H/q+1;/p-1.
What are the key properties of trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium iodide?
trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium iodide has a molecular weight of 283.15 g/mol, XLogP of -1.77, 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 iodide is sourced from PubChem (CID 19069945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).