4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one

C9H14N2O2 — CID 68803223

IUPAC4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one
SMILESCCN1CC(C2=NCCO2)CC1=O
InChIInChI=1S/C9H14N2O2/c1-2-11-6-7(5-8(11)12)9-10-3-4-13-9/h7H,2-6H2,1H3
InChIKeyBFBJZJMXWPYNRU-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.28
Rot. Bonds2

About 4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one

4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one (PubChem CID 68803223) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one
PubChem CID68803223
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one
SMILESCCN1CC(C2=NCCO2)CC1=O
InChIInChI=1S/C9H14N2O2/c1-2-11-6-7(5-8(11)12)9-10-3-4-13-9/h7H,2-6H2,1H3
InChIKeyBFBJZJMXWPYNRU-UHFFFAOYSA-N
XLogP0.28
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one?
The IUPAC name of 4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one (CID 68803223) is 4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one?
The canonical SMILES for 4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one is CCN1CC(C2=NCCO2)CC1=O.
What is the InChIKey of 4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one?
The InChIKey is BFBJZJMXWPYNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-11-6-7(5-8(11)12)9-10-3-4-13-9/h7H,2-6H2,1H3.
What are the key properties of 4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one?
4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1,3-oxazol-2-yl)-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 68803223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).