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

C10H21N2O2+ — CID 59355168

IUPACdimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium
SMILESCCC[N+](C)(C)CC1(C)COC(=O)N1
InChIInChI=1S/C10H20N2O2/c1-5-6-12(3,4)7-10(2)8-14-9(13)11-10/h5-8H2,1-4H3/p+1
InChIKeyWSVUKZLHOAGOPF-UHFFFAOYSA-O
MW201.29 g/mol
LogP0.97
Rot. Bonds4

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

dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium (PubChem CID 59355168) has the molecular formula C10H21N2O2+ and a molecular weight of 201.29 g/mol. Its IUPAC name is dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium.

Molecular Properties

Compound Namedimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium
PubChem CID59355168
Molecular FormulaC10H21N2O2+
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Namedimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium
SMILESCCC[N+](C)(C)CC1(C)COC(=O)N1
InChIInChI=1S/C10H20N2O2/c1-5-6-12(3,4)7-10(2)8-14-9(13)11-10/h5-8H2,1-4H3/p+1
InChIKeyWSVUKZLHOAGOPF-UHFFFAOYSA-O
XLogP0.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.97
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?
The IUPAC name of dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium (CID 59355168) is dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium.
What is the SMILES notation for dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium?
The canonical SMILES for dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium is CCC[N+](C)(C)CC1(C)COC(=O)N1.
What is the InChIKey of dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium?
The InChIKey is WSVUKZLHOAGOPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O2/c1-5-6-12(3,4)7-10(2)8-14-9(13)11-10/h5-8H2,1-4H3/p+1.
What are the key properties of dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium?
dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]-propylazanium has a molecular weight of 201.29 g/mol, XLogP of 0.97, 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 is sourced from PubChem (CID 59355168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).