ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride

C9H19ClN2O2 — CID 68563428

IUPACethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride
SMILESCC[N+](C)(C)CC1(C)COC(=O)N1.[Cl-]
InChIInChI=1S/C9H18N2O2.ClH/c1-5-11(3,4)6-9(2)7-13-8(12)10-9;/h5-7H2,1-4H3;1H
InChIKeyULTAIZPBBGGKPQ-UHFFFAOYSA-N
MW222.72 g/mol
LogP-2.41
Rot. Bonds3

About ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride

ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride (PubChem CID 68563428) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride.

Molecular Properties

Compound Nameethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride
PubChem CID68563428
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC Nameethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride
SMILESCC[N+](C)(C)CC1(C)COC(=O)N1.[Cl-]
InChIInChI=1S/C9H18N2O2.ClH/c1-5-11(3,4)6-9(2)7-13-8(12)10-9;/h5-7H2,1-4H3;1H
InChIKeyULTAIZPBBGGKPQ-UHFFFAOYSA-N
XLogP-2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 5-2.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride?
The IUPAC name of ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride (CID 68563428) is ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride.
What is the SMILES notation for ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride?
The canonical SMILES for ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride is CC[N+](C)(C)CC1(C)COC(=O)N1.[Cl-].
What is the InChIKey of ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride?
The InChIKey is ULTAIZPBBGGKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.ClH/c1-5-11(3,4)6-9(2)7-13-8(12)10-9;/h5-7H2,1-4H3;1H.
What are the key properties of ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride?
ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride has a molecular weight of 222.72 g/mol, XLogP of -2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium chloride is sourced from PubChem (CID 68563428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).