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

C10H21ClN2O2 — CID 68562483

IUPACdimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium chloride
SMILESCCC[N+](C)(C)CC1(C)COC(=O)N1.[Cl-]
InChIInChI=1S/C10H20N2O2.ClH/c1-5-6-12(3,4)7-10(2)8-14-9(13)11-10;/h5-8H2,1-4H3;1H
InChIKeyHUVUCNHDVDFMLF-UHFFFAOYSA-N
MW236.74 g/mol
LogP-2.02
Rot. Bonds4

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

dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium chloride (PubChem CID 68562483) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium chloride.

Molecular Properties

Compound Namedimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium chloride
PubChem CID68562483
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Namedimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium chloride
SMILESCCC[N+](C)(C)CC1(C)COC(=O)N1.[Cl-]
InChIInChI=1S/C10H20N2O2.ClH/c1-5-6-12(3,4)7-10(2)8-14-9(13)11-10;/h5-8H2,1-4H3;1H
InChIKeyHUVUCNHDVDFMLF-UHFFFAOYSA-N
XLogP-2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 5-2.02
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 dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium chloride?
The IUPAC name of dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium chloride (CID 68562483) is dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium chloride.
What is the SMILES notation for dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium chloride?
The canonical SMILES for dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium chloride is CCC[N+](C)(C)CC1(C)COC(=O)N1.[Cl-].
What is the InChIKey of dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium chloride?
The InChIKey is HUVUCNHDVDFMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-5-6-12(3,4)7-10(2)8-14-9(13)11-10;/h5-8H2,1-4H3;1H.
What are the key properties of dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium chloride?
dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium chloride has a molecular weight of 236.74 g/mol, XLogP of -2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium chloride is sourced from PubChem (CID 68562483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).