dimethyl-(2-methyl-3-oxopentylidene)azanium

C8H16NO+ — CID 23278658

IUPACdimethyl-(2-methyl-3-oxopentylidene)azanium
SMILESCCC(=O)C(C)C=[N+](C)C
InChIInChI=1S/C8H16NO/c1-5-8(10)7(2)6-9(3)4/h6-7H,5H2,1-4H3/q+1
InChIKeyXFZXIAUSICSBDJ-UHFFFAOYSA-N
MW142.22 g/mol
LogP0.94
Rot. Bonds3

About dimethyl-(2-methyl-3-oxopentylidene)azanium

dimethyl-(2-methyl-3-oxopentylidene)azanium (PubChem CID 23278658) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is dimethyl-(2-methyl-3-oxopentylidene)azanium.

Molecular Properties

Compound Namedimethyl-(2-methyl-3-oxopentylidene)azanium
PubChem CID23278658
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Namedimethyl-(2-methyl-3-oxopentylidene)azanium
SMILESCCC(=O)C(C)C=[N+](C)C
InChIInChI=1S/C8H16NO/c1-5-8(10)7(2)6-9(3)4/h6-7H,5H2,1-4H3/q+1
InChIKeyXFZXIAUSICSBDJ-UHFFFAOYSA-N
XLogP0.94
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methyl-3-oxopentylidene)azanium?
The IUPAC name of dimethyl-(2-methyl-3-oxopentylidene)azanium (CID 23278658) is dimethyl-(2-methyl-3-oxopentylidene)azanium.
What is the SMILES notation for dimethyl-(2-methyl-3-oxopentylidene)azanium?
The canonical SMILES for dimethyl-(2-methyl-3-oxopentylidene)azanium is CCC(=O)C(C)C=[N+](C)C.
What is the InChIKey of dimethyl-(2-methyl-3-oxopentylidene)azanium?
The InChIKey is XFZXIAUSICSBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO/c1-5-8(10)7(2)6-9(3)4/h6-7H,5H2,1-4H3/q+1.
What are the key properties of dimethyl-(2-methyl-3-oxopentylidene)azanium?
dimethyl-(2-methyl-3-oxopentylidene)azanium has a molecular weight of 142.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methyl-3-oxopentylidene)azanium is sourced from PubChem (CID 23278658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).