2,3-dioxopropyl(dimethyl)azanium chloride

C5H10ClNO2 — CID 159699508

IUPAC2,3-dioxopropyl(dimethyl)azanium chloride
SMILESC[NH+](C)CC(=O)C=O.[Cl-]
InChIInChI=1S/C5H9NO2.ClH/c1-6(2)3-5(8)4-7;/h4H,3H2,1-2H3;1H
InChIKeyGUBHTWCIRGJVPO-UHFFFAOYSA-N
MW151.59 g/mol
LogP-5.10
Rot. Bonds3

About 2,3-dioxopropyl(dimethyl)azanium chloride

2,3-dioxopropyl(dimethyl)azanium chloride (PubChem CID 159699508) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is 2,3-dioxopropyl(dimethyl)azanium chloride.

Molecular Properties

Compound Name2,3-dioxopropyl(dimethyl)azanium chloride
PubChem CID159699508
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name2,3-dioxopropyl(dimethyl)azanium chloride
SMILESC[NH+](C)CC(=O)C=O.[Cl-]
InChIInChI=1S/C5H9NO2.ClH/c1-6(2)3-5(8)4-7;/h4H,3H2,1-2H3;1H
InChIKeyGUBHTWCIRGJVPO-UHFFFAOYSA-N
XLogP-5.10
TPSA38.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 5-5.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dioxopropyl(dimethyl)azanium chloride?
The IUPAC name of 2,3-dioxopropyl(dimethyl)azanium chloride (CID 159699508) is 2,3-dioxopropyl(dimethyl)azanium chloride.
What is the SMILES notation for 2,3-dioxopropyl(dimethyl)azanium chloride?
The canonical SMILES for 2,3-dioxopropyl(dimethyl)azanium chloride is C[NH+](C)CC(=O)C=O.[Cl-].
What is the InChIKey of 2,3-dioxopropyl(dimethyl)azanium chloride?
The InChIKey is GUBHTWCIRGJVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c1-6(2)3-5(8)4-7;/h4H,3H2,1-2H3;1H.
What are the key properties of 2,3-dioxopropyl(dimethyl)azanium chloride?
2,3-dioxopropyl(dimethyl)azanium chloride has a molecular weight of 151.59 g/mol, XLogP of -5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxopropyl(dimethyl)azanium chloride is sourced from PubChem (CID 159699508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).