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

C4H8N2O2 — CID 22269655

IUPAC3-(aminomethyl)-1,3-oxazolidin-2-one
SMILESNCN1CCOC1=O
InChIInChI=1S/C4H8N2O2/c5-3-6-1-2-8-4(6)7/h1-3,5H2
InChIKeyNVZIFMAZKAYQJR-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.65
Rot. Bonds1

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

3-(aminomethyl)-1,3-oxazolidin-2-one (PubChem CID 22269655) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 3-(aminomethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1,3-oxazolidin-2-one
PubChem CID22269655
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name3-(aminomethyl)-1,3-oxazolidin-2-one
SMILESNCN1CCOC1=O
InChIInChI=1S/C4H8N2O2/c5-3-6-1-2-8-4(6)7/h1-3,5H2
InChIKeyNVZIFMAZKAYQJR-UHFFFAOYSA-N
XLogP-0.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(aminomethyl)-1,3-oxazolidin-2-one (CID 22269655) is 3-(aminomethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(aminomethyl)-1,3-oxazolidin-2-one is NCN1CCOC1=O.
What is the InChIKey of 3-(aminomethyl)-1,3-oxazolidin-2-one?
The InChIKey is NVZIFMAZKAYQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-3-6-1-2-8-4(6)7/h1-3,5H2.
What are the key properties of 3-(aminomethyl)-1,3-oxazolidin-2-one?
3-(aminomethyl)-1,3-oxazolidin-2-one has a molecular weight of 116.12 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22269655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).