1-methoxy-2H-pyrrol-5-one

C5H7NO2 — CID 122591715

IUPAC1-methoxy-2H-pyrrol-5-one
SMILESCON1CC=CC1=O
InChIInChI=1S/C5H7NO2/c1-8-6-4-2-3-5(6)7/h2-3H,4H2,1H3
InChIKeyURGGLFFAOMPGTM-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.05
Rot. Bonds1

About 1-methoxy-2H-pyrrol-5-one

1-methoxy-2H-pyrrol-5-one (PubChem CID 122591715) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 1-methoxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-methoxy-2H-pyrrol-5-one
PubChem CID122591715
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name1-methoxy-2H-pyrrol-5-one
SMILESCON1CC=CC1=O
InChIInChI=1S/C5H7NO2/c1-8-6-4-2-3-5(6)7/h2-3H,4H2,1H3
InChIKeyURGGLFFAOMPGTM-UHFFFAOYSA-N
XLogP-0.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2H-pyrrol-5-one?
The IUPAC name of 1-methoxy-2H-pyrrol-5-one (CID 122591715) is 1-methoxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-methoxy-2H-pyrrol-5-one?
The canonical SMILES for 1-methoxy-2H-pyrrol-5-one is CON1CC=CC1=O.
What is the InChIKey of 1-methoxy-2H-pyrrol-5-one?
The InChIKey is URGGLFFAOMPGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-8-6-4-2-3-5(6)7/h2-3H,4H2,1H3.
What are the key properties of 1-methoxy-2H-pyrrol-5-one?
1-methoxy-2H-pyrrol-5-one has a molecular weight of 113.12 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2H-pyrrol-5-one is sourced from PubChem (CID 122591715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).