ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one

C10H15NO2 — CID 143109190

IUPACethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one
SMILESC=Cc1o[nH]c(=O)c1/C=C\C.CC
InChIInChI=1S/C8H9NO2.C2H6/c1-3-5-6-7(4-2)11-9-8(6)10;1-2/h3-5H,2H2,1H3,(H,9,10);1-2H3/b5-3-;
InChIKeyJKGVJBTWTQJJDQ-FBZPGIPVSA-N
MW181.23 g/mol
LogP2.67
Rot. Bonds2

About ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one

ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one (PubChem CID 143109190) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Nameethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one
PubChem CID143109190
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one
SMILESC=Cc1o[nH]c(=O)c1/C=C\C.CC
InChIInChI=1S/C8H9NO2.C2H6/c1-3-5-6-7(4-2)11-9-8(6)10;1-2/h3-5H,2H2,1H3,(H,9,10);1-2H3/b5-3-;
InChIKeyJKGVJBTWTQJJDQ-FBZPGIPVSA-N
XLogP2.67
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one?
The IUPAC name of ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one (CID 143109190) is ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one.
What is the SMILES notation for ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one?
The canonical SMILES for ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one is C=Cc1o[nH]c(=O)c1/C=C\C.CC.
What is the InChIKey of ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one?
The InChIKey is JKGVJBTWTQJJDQ-FBZPGIPVSA-N. The full InChI is InChI=1S/C8H9NO2.C2H6/c1-3-5-6-7(4-2)11-9-8(6)10;1-2/h3-5H,2H2,1H3,(H,9,10);1-2H3/b5-3-;.
What are the key properties of ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one?
ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one has a molecular weight of 181.23 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-4-[(Z)-prop-1-enyl]-1,2-oxazol-3-one is sourced from PubChem (CID 143109190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).