3-methoxy-1,2-dihydropyrrol-5-one

C5H7NO2 — CID 574769

IUPAC3-methoxy-1,2-dihydropyrrol-5-one
SMILESCOC1=CC(=O)NC1
InChIInChI=1S/C5H7NO2/c1-8-4-2-5(7)6-3-4/h2H,3H2,1H3,(H,6,7)
InChIKeyTXKQBYYDTLOLHA-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.35
Rot. Bonds1

About 3-methoxy-1,2-dihydropyrrol-5-one

3-methoxy-1,2-dihydropyrrol-5-one (PubChem CID 574769) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 3-methoxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-methoxy-1,2-dihydropyrrol-5-one
PubChem CID574769
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name3-methoxy-1,2-dihydropyrrol-5-one
SMILESCOC1=CC(=O)NC1
InChIInChI=1S/C5H7NO2/c1-8-4-2-5(7)6-3-4/h2H,3H2,1H3,(H,6,7)
InChIKeyTXKQBYYDTLOLHA-UHFFFAOYSA-N
XLogP-0.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-methoxy-1,2-dihydropyrrol-5-one (CID 574769) is 3-methoxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-methoxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-methoxy-1,2-dihydropyrrol-5-one is COC1=CC(=O)NC1.
What is the InChIKey of 3-methoxy-1,2-dihydropyrrol-5-one?
The InChIKey is TXKQBYYDTLOLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-8-4-2-5(7)6-3-4/h2H,3H2,1H3,(H,6,7).
What are the key properties of 3-methoxy-1,2-dihydropyrrol-5-one?
3-methoxy-1,2-dihydropyrrol-5-one has a molecular weight of 113.12 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 574769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).