1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one

C12H15NO3 — CID 10466079

IUPAC1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one
SMILESCC(C)=C1C=C(CN2CCCC2=O)C(=O)O1
InChIInChI=1S/C12H15NO3/c1-8(2)10-6-9(12(15)16-10)7-13-5-3-4-11(13)14/h6H,3-5,7H2,1-2H3
InChIKeyHREXWSQKOMIFNV-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.39
Rot. Bonds2

About 1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one

1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one (PubChem CID 10466079) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one
PubChem CID10466079
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one
SMILESCC(C)=C1C=C(CN2CCCC2=O)C(=O)O1
InChIInChI=1S/C12H15NO3/c1-8(2)10-6-9(12(15)16-10)7-13-5-3-4-11(13)14/h6H,3-5,7H2,1-2H3
InChIKeyHREXWSQKOMIFNV-UHFFFAOYSA-N
XLogP1.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one (CID 10466079) is 1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one is CC(C)=C1C=C(CN2CCCC2=O)C(=O)O1.
What is the InChIKey of 1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one?
The InChIKey is HREXWSQKOMIFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(2)10-6-9(12(15)16-10)7-13-5-3-4-11(13)14/h6H,3-5,7H2,1-2H3.
What are the key properties of 1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one?
1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-5-propan-2-ylidenefuran-3-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 10466079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).