3,4-dimethoxy-1,2-dihydropyrrol-5-one

C6H9NO3 — CID 55287005

IUPAC3,4-dimethoxy-1,2-dihydropyrrol-5-one
SMILESCOC1=C(OC)C(=O)NC1
InChIInChI=1S/C6H9NO3/c1-9-4-3-7-6(8)5(4)10-2/h3H2,1-2H3,(H,7,8)
InChIKeyFIFRTCUXNPCDCS-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.38
Rot. Bonds2

About 3,4-dimethoxy-1,2-dihydropyrrol-5-one

3,4-dimethoxy-1,2-dihydropyrrol-5-one (PubChem CID 55287005) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3,4-dimethoxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3,4-dimethoxy-1,2-dihydropyrrol-5-one
PubChem CID55287005
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3,4-dimethoxy-1,2-dihydropyrrol-5-one
SMILESCOC1=C(OC)C(=O)NC1
InChIInChI=1S/C6H9NO3/c1-9-4-3-7-6(8)5(4)10-2/h3H2,1-2H3,(H,7,8)
InChIKeyFIFRTCUXNPCDCS-UHFFFAOYSA-N
XLogP-0.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3,4-dimethoxy-1,2-dihydropyrrol-5-one (CID 55287005) is 3,4-dimethoxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3,4-dimethoxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3,4-dimethoxy-1,2-dihydropyrrol-5-one is COC1=C(OC)C(=O)NC1.
What is the InChIKey of 3,4-dimethoxy-1,2-dihydropyrrol-5-one?
The InChIKey is FIFRTCUXNPCDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-9-4-3-7-6(8)5(4)10-2/h3H2,1-2H3,(H,7,8).
What are the key properties of 3,4-dimethoxy-1,2-dihydropyrrol-5-one?
3,4-dimethoxy-1,2-dihydropyrrol-5-one has a molecular weight of 143.14 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 55287005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).