(2-oxo-2-propoxyethyl)azanium chloride

C5H12ClNO2 — CID 3084132

IUPAC(2-oxo-2-propoxyethyl)azanium chloride
SMILESCCCOC(=O)C[NH3+].[Cl-]
InChIInChI=1S/C5H11NO2.ClH/c1-2-3-8-5(7)4-6;/h2-4,6H2,1H3;1H
InChIKeyYDBMNSABUROTEK-UHFFFAOYSA-N
MW153.61 g/mol
LogP-3.81
Rot. Bonds3

About (2-oxo-2-propoxyethyl)azanium chloride

(2-oxo-2-propoxyethyl)azanium chloride (PubChem CID 3084132) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is (2-oxo-2-propoxyethyl)azanium chloride.

Molecular Properties

Compound Name(2-oxo-2-propoxyethyl)azanium chloride
PubChem CID3084132
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name(2-oxo-2-propoxyethyl)azanium chloride
SMILESCCCOC(=O)C[NH3+].[Cl-]
InChIInChI=1S/C5H11NO2.ClH/c1-2-3-8-5(7)4-6;/h2-4,6H2,1H3;1H
InChIKeyYDBMNSABUROTEK-UHFFFAOYSA-N
XLogP-3.81
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-3.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-propoxyethyl)azanium chloride?
The IUPAC name of (2-oxo-2-propoxyethyl)azanium chloride (CID 3084132) is (2-oxo-2-propoxyethyl)azanium chloride.
What is the SMILES notation for (2-oxo-2-propoxyethyl)azanium chloride?
The canonical SMILES for (2-oxo-2-propoxyethyl)azanium chloride is CCCOC(=O)C[NH3+].[Cl-].
What is the InChIKey of (2-oxo-2-propoxyethyl)azanium chloride?
The InChIKey is YDBMNSABUROTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-2-3-8-5(7)4-6;/h2-4,6H2,1H3;1H.
What are the key properties of (2-oxo-2-propoxyethyl)azanium chloride?
(2-oxo-2-propoxyethyl)azanium chloride has a molecular weight of 153.61 g/mol, XLogP of -3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-propoxyethyl)azanium chloride is sourced from PubChem (CID 3084132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).