1-ethenylpyrrolidin-2-one;2-ethyl-4,5-dihydro-1,3-oxazole

C11H18N2O2 — CID 19989430

IUPAC1-ethenylpyrrolidin-2-one;2-ethyl-4,5-dihydro-1,3-oxazole
SMILESC=CN1CCCC1=O.CCC1=NCCO1
InChIInChI=1S/C6H9NO.C5H9NO/c1-2-7-5-3-4-6(7)8;1-2-5-6-3-4-7-5/h2H,1,3-5H2;2-4H2,1H3
InChIKeyIASMNJCKDGKZPO-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.58
Rot. Bonds2

About 1-ethenylpyrrolidin-2-one;2-ethyl-4,5-dihydro-1,3-oxazole

1-ethenylpyrrolidin-2-one;2-ethyl-4,5-dihydro-1,3-oxazole (PubChem CID 19989430) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;2-ethyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;2-ethyl-4,5-dihydro-1,3-oxazole
PubChem CID19989430
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-ethenylpyrrolidin-2-one;2-ethyl-4,5-dihydro-1,3-oxazole
SMILESC=CN1CCCC1=O.CCC1=NCCO1
InChIInChI=1S/C6H9NO.C5H9NO/c1-2-7-5-3-4-6(7)8;1-2-5-6-3-4-7-5/h2H,1,3-5H2;2-4H2,1H3
InChIKeyIASMNJCKDGKZPO-UHFFFAOYSA-N
XLogP1.58
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrolidin-2-one;2-ethyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 1-ethenylpyrrolidin-2-one;2-ethyl-4,5-dihydro-1,3-oxazole (CID 19989430) is 1-ethenylpyrrolidin-2-one;2-ethyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;2-ethyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;2-ethyl-4,5-dihydro-1,3-oxazole is C=CN1CCCC1=O.CCC1=NCCO1.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;2-ethyl-4,5-dihydro-1,3-oxazole?
The InChIKey is IASMNJCKDGKZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C5H9NO/c1-2-7-5-3-4-6(7)8;1-2-5-6-3-4-7-5/h2H,1,3-5H2;2-4H2,1H3.
What are the key properties of 1-ethenylpyrrolidin-2-one;2-ethyl-4,5-dihydro-1,3-oxazole?
1-ethenylpyrrolidin-2-one;2-ethyl-4,5-dihydro-1,3-oxazole has a molecular weight of 210.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;2-ethyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19989430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).