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

C9H19N2O2+ — CID 59355167

IUPACethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium
SMILESCC[N+](C)(C)CC1(C)COC(=O)N1
InChIInChI=1S/C9H18N2O2/c1-5-11(3,4)6-9(2)7-13-8(12)10-9/h5-7H2,1-4H3/p+1
InChIKeyIOVYJQOHSQEXNC-UHFFFAOYSA-O
MW187.26 g/mol
LogP0.58
Rot. Bonds3

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

ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium (PubChem CID 59355167) has the molecular formula C9H19N2O2+ and a molecular weight of 187.26 g/mol. Its IUPAC name is ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium.

Molecular Properties

Compound Nameethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium
PubChem CID59355167
Molecular FormulaC9H19N2O2+
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Nameethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium
SMILESCC[N+](C)(C)CC1(C)COC(=O)N1
InChIInChI=1S/C9H18N2O2/c1-5-11(3,4)6-9(2)7-13-8(12)10-9/h5-7H2,1-4H3/p+1
InChIKeyIOVYJQOHSQEXNC-UHFFFAOYSA-O
XLogP0.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.58
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?
The IUPAC name of ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium (CID 59355167) is ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium.
What is the SMILES notation for ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium?
The canonical SMILES for ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium is CC[N+](C)(C)CC1(C)COC(=O)N1.
What is the InChIKey of ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium?
The InChIKey is IOVYJQOHSQEXNC-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18N2O2/c1-5-11(3,4)6-9(2)7-13-8(12)10-9/h5-7H2,1-4H3/p+1.
What are the key properties of ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium?
ethyl-dimethyl-[(4-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]azanium has a molecular weight of 187.26 g/mol, XLogP of 0.58, 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 is sourced from PubChem (CID 59355167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).