2-[2-(aminomethyl)-6-ethenylphenyl]-1,3-oxazolidin-4-one

C12H14N2O2 — CID 22154367

IUPAC2-[2-(aminomethyl)-6-ethenylphenyl]-1,3-oxazolidin-4-one
SMILESC=Cc1cccc(CN)c1C1NC(=O)CO1
InChIInChI=1S/C12H14N2O2/c1-2-8-4-3-5-9(6-13)11(8)12-14-10(15)7-16-12/h2-5,12H,1,6-7,13H2,(H,14,15)
InChIKeyCMYBHMWCSYLPMA-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.93
Rot. Bonds3

About 2-[2-(aminomethyl)-6-ethenylphenyl]-1,3-oxazolidin-4-one

2-[2-(aminomethyl)-6-ethenylphenyl]-1,3-oxazolidin-4-one (PubChem CID 22154367) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-ethenylphenyl]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-ethenylphenyl]-1,3-oxazolidin-4-one
PubChem CID22154367
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[2-(aminomethyl)-6-ethenylphenyl]-1,3-oxazolidin-4-one
SMILESC=Cc1cccc(CN)c1C1NC(=O)CO1
InChIInChI=1S/C12H14N2O2/c1-2-8-4-3-5-9(6-13)11(8)12-14-10(15)7-16-12/h2-5,12H,1,6-7,13H2,(H,14,15)
InChIKeyCMYBHMWCSYLPMA-UHFFFAOYSA-N
XLogP0.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-ethenylphenyl]-1,3-oxazolidin-4-one?
The IUPAC name of 2-[2-(aminomethyl)-6-ethenylphenyl]-1,3-oxazolidin-4-one (CID 22154367) is 2-[2-(aminomethyl)-6-ethenylphenyl]-1,3-oxazolidin-4-one.
What is the SMILES notation for 2-[2-(aminomethyl)-6-ethenylphenyl]-1,3-oxazolidin-4-one?
The canonical SMILES for 2-[2-(aminomethyl)-6-ethenylphenyl]-1,3-oxazolidin-4-one is C=Cc1cccc(CN)c1C1NC(=O)CO1.
What is the InChIKey of 2-[2-(aminomethyl)-6-ethenylphenyl]-1,3-oxazolidin-4-one?
The InChIKey is CMYBHMWCSYLPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-8-4-3-5-9(6-13)11(8)12-14-10(15)7-16-12/h2-5,12H,1,6-7,13H2,(H,14,15).
What are the key properties of 2-[2-(aminomethyl)-6-ethenylphenyl]-1,3-oxazolidin-4-one?
2-[2-(aminomethyl)-6-ethenylphenyl]-1,3-oxazolidin-4-one has a molecular weight of 218.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-ethenylphenyl]-1,3-oxazolidin-4-one is sourced from PubChem (CID 22154367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).