2-amino-1-(4-ethenyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone

C9H16N2O2 — CID 15601876

IUPAC2-amino-1-(4-ethenyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
SMILESC=CC1COC(C)(C)N1C(=O)CN
InChIInChI=1S/C9H16N2O2/c1-4-7-6-13-9(2,3)11(7)8(12)5-10/h4,7H,1,5-6,10H2,2-3H3
InChIKeyRYAQFBCSZBHBAZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.09
Rot. Bonds2

About 2-amino-1-(4-ethenyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone

2-amino-1-(4-ethenyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone (PubChem CID 15601876) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-amino-1-(4-ethenyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-ethenyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
PubChem CID15601876
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-amino-1-(4-ethenyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
SMILESC=CC1COC(C)(C)N1C(=O)CN
InChIInChI=1S/C9H16N2O2/c1-4-7-6-13-9(2,3)11(7)8(12)5-10/h4,7H,1,5-6,10H2,2-3H3
InChIKeyRYAQFBCSZBHBAZ-UHFFFAOYSA-N
XLogP0.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethenyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 2-amino-1-(4-ethenyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone (CID 15601876) is 2-amino-1-(4-ethenyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-ethenyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-ethenyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone is C=CC1COC(C)(C)N1C(=O)CN.
What is the InChIKey of 2-amino-1-(4-ethenyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The InChIKey is RYAQFBCSZBHBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-7-6-13-9(2,3)11(7)8(12)5-10/h4,7H,1,5-6,10H2,2-3H3.
What are the key properties of 2-amino-1-(4-ethenyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone?
2-amino-1-(4-ethenyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone has a molecular weight of 184.24 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethenyl-2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 15601876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).