5-ethenyl-4-[(Z)-2-methylbut-1-enyl]-3H-1,3-oxazol-2-one

C10H13NO2 — CID 156544306

IUPAC5-ethenyl-4-[(Z)-2-methylbut-1-enyl]-3H-1,3-oxazol-2-one
SMILESC=Cc1oc(=O)[nH]c1/C=C(/C)CC
InChIInChI=1S/C10H13NO2/c1-4-7(3)6-8-9(5-2)13-10(12)11-8/h5-6H,2,4H2,1,3H3,(H,11,12)/b7-6-
InChIKeyAWDNKZAVZNWPEK-SREVYHEPSA-N
MW179.22 g/mol
LogP2.42
Rot. Bonds3

About 5-ethenyl-4-[(Z)-2-methylbut-1-enyl]-3H-1,3-oxazol-2-one

5-ethenyl-4-[(Z)-2-methylbut-1-enyl]-3H-1,3-oxazol-2-one (PubChem CID 156544306) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-ethenyl-4-[(Z)-2-methylbut-1-enyl]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-ethenyl-4-[(Z)-2-methylbut-1-enyl]-3H-1,3-oxazol-2-one
PubChem CID156544306
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name5-ethenyl-4-[(Z)-2-methylbut-1-enyl]-3H-1,3-oxazol-2-one
SMILESC=Cc1oc(=O)[nH]c1/C=C(/C)CC
InChIInChI=1S/C10H13NO2/c1-4-7(3)6-8-9(5-2)13-10(12)11-8/h5-6H,2,4H2,1,3H3,(H,11,12)/b7-6-
InChIKeyAWDNKZAVZNWPEK-SREVYHEPSA-N
XLogP2.42
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-[(Z)-2-methylbut-1-enyl]-3H-1,3-oxazol-2-one?
The IUPAC name of 5-ethenyl-4-[(Z)-2-methylbut-1-enyl]-3H-1,3-oxazol-2-one (CID 156544306) is 5-ethenyl-4-[(Z)-2-methylbut-1-enyl]-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-ethenyl-4-[(Z)-2-methylbut-1-enyl]-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-ethenyl-4-[(Z)-2-methylbut-1-enyl]-3H-1,3-oxazol-2-one is C=Cc1oc(=O)[nH]c1/C=C(/C)CC.
What is the InChIKey of 5-ethenyl-4-[(Z)-2-methylbut-1-enyl]-3H-1,3-oxazol-2-one?
The InChIKey is AWDNKZAVZNWPEK-SREVYHEPSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-7(3)6-8-9(5-2)13-10(12)11-8/h5-6H,2,4H2,1,3H3,(H,11,12)/b7-6-.
What are the key properties of 5-ethenyl-4-[(Z)-2-methylbut-1-enyl]-3H-1,3-oxazol-2-one?
5-ethenyl-4-[(Z)-2-methylbut-1-enyl]-3H-1,3-oxazol-2-one has a molecular weight of 179.22 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-[(Z)-2-methylbut-1-enyl]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 156544306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).