4-ethenyl-5-methyl-3H-1,3-oxazol-2-one;2-methylpent-2-ene

C12H19NO2 — CID 143469015

IUPAC4-ethenyl-5-methyl-3H-1,3-oxazol-2-one;2-methylpent-2-ene
SMILESC=Cc1[nH]c(=O)oc1C.CCC=C(C)C
InChIInChI=1S/C6H7NO2.C6H12/c1-3-5-4(2)9-6(8)7-5;1-4-5-6(2)3/h3H,1H2,2H3,(H,7,8);5H,4H2,1-3H3
InChIKeyGMHHXRUZZGMVDL-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.28
Rot. Bonds2

About 4-ethenyl-5-methyl-3H-1,3-oxazol-2-one;2-methylpent-2-ene

4-ethenyl-5-methyl-3H-1,3-oxazol-2-one;2-methylpent-2-ene (PubChem CID 143469015) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-ethenyl-5-methyl-3H-1,3-oxazol-2-one;2-methylpent-2-ene.

Molecular Properties

Compound Name4-ethenyl-5-methyl-3H-1,3-oxazol-2-one;2-methylpent-2-ene
PubChem CID143469015
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-ethenyl-5-methyl-3H-1,3-oxazol-2-one;2-methylpent-2-ene
SMILESC=Cc1[nH]c(=O)oc1C.CCC=C(C)C
InChIInChI=1S/C6H7NO2.C6H12/c1-3-5-4(2)9-6(8)7-5;1-4-5-6(2)3/h3H,1H2,2H3,(H,7,8);5H,4H2,1-3H3
InChIKeyGMHHXRUZZGMVDL-UHFFFAOYSA-N
XLogP3.28
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-ethenyl-5-methyl-3H-1,3-oxazol-2-one;2-methylpent-2-ene?
The IUPAC name of 4-ethenyl-5-methyl-3H-1,3-oxazol-2-one;2-methylpent-2-ene (CID 143469015) is 4-ethenyl-5-methyl-3H-1,3-oxazol-2-one;2-methylpent-2-ene.
What is the SMILES notation for 4-ethenyl-5-methyl-3H-1,3-oxazol-2-one;2-methylpent-2-ene?
The canonical SMILES for 4-ethenyl-5-methyl-3H-1,3-oxazol-2-one;2-methylpent-2-ene is C=Cc1[nH]c(=O)oc1C.CCC=C(C)C.
What is the InChIKey of 4-ethenyl-5-methyl-3H-1,3-oxazol-2-one;2-methylpent-2-ene?
The InChIKey is GMHHXRUZZGMVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.C6H12/c1-3-5-4(2)9-6(8)7-5;1-4-5-6(2)3/h3H,1H2,2H3,(H,7,8);5H,4H2,1-3H3.
What are the key properties of 4-ethenyl-5-methyl-3H-1,3-oxazol-2-one;2-methylpent-2-ene?
4-ethenyl-5-methyl-3H-1,3-oxazol-2-one;2-methylpent-2-ene has a molecular weight of 209.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-methyl-3H-1,3-oxazol-2-one;2-methylpent-2-ene is sourced from PubChem (CID 143469015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).