3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidin-2-one

C10H11NO4 — CID 123380871

IUPAC3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidin-2-one
SMILESCC1=CC(OC=C2CCNC2=O)OC1=O
InChIInChI=1S/C10H11NO4/c1-6-4-8(15-10(6)13)14-5-7-2-3-11-9(7)12/h4-5,8H,2-3H2,1H3,(H,11,12)
InChIKeyCGKIJWPMWQMGTG-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.24
Rot. Bonds2

About 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidin-2-one

3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidin-2-one (PubChem CID 123380871) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidin-2-one
PubChem CID123380871
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidin-2-one
SMILESCC1=CC(OC=C2CCNC2=O)OC1=O
InChIInChI=1S/C10H11NO4/c1-6-4-8(15-10(6)13)14-5-7-2-3-11-9(7)12/h4-5,8H,2-3H2,1H3,(H,11,12)
InChIKeyCGKIJWPMWQMGTG-UHFFFAOYSA-N
XLogP0.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidin-2-one?
The IUPAC name of 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidin-2-one (CID 123380871) is 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidin-2-one.
What is the SMILES notation for 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidin-2-one?
The canonical SMILES for 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidin-2-one is CC1=CC(OC=C2CCNC2=O)OC1=O.
What is the InChIKey of 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidin-2-one?
The InChIKey is CGKIJWPMWQMGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6-4-8(15-10(6)13)14-5-7-2-3-11-9(7)12/h4-5,8H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidin-2-one?
3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidin-2-one has a molecular weight of 209.20 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]pyrrolidin-2-one is sourced from PubChem (CID 123380871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).