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

C8H16N2O2 — CID 55268663

IUPAC5-(aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)CN1CC(CN)OC1=O
InChIInChI=1S/C8H16N2O2/c1-6(2)4-10-5-7(3-9)12-8(10)11/h6-7H,3-5,9H2,1-2H3
InChIKeyZSNRSMGAAAJMNG-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.42
Rot. Bonds3

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

5-(aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 55268663) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID55268663
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name5-(aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCC(C)CN1CC(CN)OC1=O
InChIInChI=1S/C8H16N2O2/c1-6(2)4-10-5-7(3-9)12-8(10)11/h6-7H,3-5,9H2,1-2H3
InChIKeyZSNRSMGAAAJMNG-UHFFFAOYSA-N
XLogP0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 55268663) is 5-(aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one is CC(C)CN1CC(CN)OC1=O.
What is the InChIKey of 5-(aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is ZSNRSMGAAAJMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(2)4-10-5-7(3-9)12-8(10)11/h6-7H,3-5,9H2,1-2H3.
What are the key properties of 5-(aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 172.23 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 55268663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).