5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one

C5H10N2O2 — CID 20616683

IUPAC5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(CN)OC1=O
InChIInChI=1S/C5H10N2O2/c1-7-3-4(2-6)9-5(7)8/h4H,2-3,6H2,1H3
InChIKeyCTCJZEIJGYQHQH-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.60
Rot. Bonds1

About 5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one

5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 20616683) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one
PubChem CID20616683
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1CC(CN)OC1=O
InChIInChI=1S/C5H10N2O2/c1-7-3-4(2-6)9-5(7)8/h4H,2-3,6H2,1H3
InChIKeyCTCJZEIJGYQHQH-UHFFFAOYSA-N
XLogP-0.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one (CID 20616683) is 5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one is CN1CC(CN)OC1=O.
What is the InChIKey of 5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is CTCJZEIJGYQHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-7-3-4(2-6)9-5(7)8/h4H,2-3,6H2,1H3.
What are the key properties of 5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 130.15 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 20616683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).