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

C6H9NO2 — CID 13193726

IUPAC3-methoxy-1-methyl-2H-pyrrol-5-one
SMILESCOC1=CC(=O)N(C)C1
InChIInChI=1S/C6H9NO2/c1-7-4-5(9-2)3-6(7)8/h3H,4H2,1-2H3
InChIKeyVRQCKEDJWJPNJH-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.01
Rot. Bonds1

About 3-methoxy-1-methyl-2H-pyrrol-5-one

3-methoxy-1-methyl-2H-pyrrol-5-one (PubChem CID 13193726) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3-methoxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-methoxy-1-methyl-2H-pyrrol-5-one
PubChem CID13193726
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3-methoxy-1-methyl-2H-pyrrol-5-one
SMILESCOC1=CC(=O)N(C)C1
InChIInChI=1S/C6H9NO2/c1-7-4-5(9-2)3-6(7)8/h3H,4H2,1-2H3
InChIKeyVRQCKEDJWJPNJH-UHFFFAOYSA-N
XLogP-0.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-methoxy-1-methyl-2H-pyrrol-5-one (CID 13193726) is 3-methoxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-methoxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-methoxy-1-methyl-2H-pyrrol-5-one is COC1=CC(=O)N(C)C1.
What is the InChIKey of 3-methoxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is VRQCKEDJWJPNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-7-4-5(9-2)3-6(7)8/h3H,4H2,1-2H3.
What are the key properties of 3-methoxy-1-methyl-2H-pyrrol-5-one?
3-methoxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 127.14 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 13193726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).