ethane;4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one

C12H21NO2 — CID 143892364

IUPACethane;4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one
SMILESC=Cc1[nH]c(=O)oc1C(=C)C.CC.CC
InChIInChI=1S/C8H9NO2.2C2H6/c1-4-6-7(5(2)3)11-8(10)9-6;2*1-2/h4H,1-2H2,3H3,(H,9,10);2*1-2H3
InChIKeyDWUDROFSXZFHOX-UHFFFAOYSA-N
MW211.30 g/mol
LogP3.70
Rot. Bonds2

About ethane;4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one

ethane;4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one (PubChem CID 143892364) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethane;4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Nameethane;4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one
PubChem CID143892364
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethane;4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one
SMILESC=Cc1[nH]c(=O)oc1C(=C)C.CC.CC
InChIInChI=1S/C8H9NO2.2C2H6/c1-4-6-7(5(2)3)11-8(10)9-6;2*1-2/h4H,1-2H2,3H3,(H,9,10);2*1-2H3
InChIKeyDWUDROFSXZFHOX-UHFFFAOYSA-N
XLogP3.70
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one?
The IUPAC name of ethane;4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one (CID 143892364) is ethane;4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one.
What is the SMILES notation for ethane;4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one?
The canonical SMILES for ethane;4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one is C=Cc1[nH]c(=O)oc1C(=C)C.CC.CC.
What is the InChIKey of ethane;4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one?
The InChIKey is DWUDROFSXZFHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.2C2H6/c1-4-6-7(5(2)3)11-8(10)9-6;2*1-2/h4H,1-2H2,3H3,(H,9,10);2*1-2H3.
What are the key properties of ethane;4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one?
ethane;4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one has a molecular weight of 211.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-5-prop-1-en-2-yl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 143892364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).