4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane

C9H13NO2 — CID 142218838

IUPAC4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane
SMILESC=Cc1[nH]c(=O)oc1C=C.CC
InChIInChI=1S/C7H7NO2.C2H6/c1-3-5-6(4-2)10-7(9)8-5;1-2/h3-4H,1-2H2,(H,8,9);1-2H3
InChIKeyPTCCSZJMOCXTPT-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.28
Rot. Bonds2

About 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane

4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane (PubChem CID 142218838) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane
PubChem CID142218838
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane
SMILESC=Cc1[nH]c(=O)oc1C=C.CC
InChIInChI=1S/C7H7NO2.C2H6/c1-3-5-6(4-2)10-7(9)8-5;1-2/h3-4H,1-2H2,(H,8,9);1-2H3
InChIKeyPTCCSZJMOCXTPT-UHFFFAOYSA-N
XLogP2.28
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane?
The IUPAC name of 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane (CID 142218838) is 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane.
What is the SMILES notation for 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane?
The canonical SMILES for 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane is C=Cc1[nH]c(=O)oc1C=C.CC.
What is the InChIKey of 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane?
The InChIKey is PTCCSZJMOCXTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C2H6/c1-3-5-6(4-2)10-7(9)8-5;1-2/h3-4H,1-2H2,(H,8,9);1-2H3.
What are the key properties of 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane?
4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane has a molecular weight of 167.21 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-3H-1,3-oxazol-2-one;ethane is sourced from PubChem (CID 142218838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).