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

C6H9NO2 — CID 154314651

IUPAC1-methoxy-3-methyl-2H-pyrrol-5-one
SMILESCON1CC(C)=CC1=O
InChIInChI=1S/C6H9NO2/c1-5-3-6(8)7(4-5)9-2/h3H,4H2,1-2H3
InChIKeyVCPPQUUPJSQEOE-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.34
Rot. Bonds1

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

1-methoxy-3-methyl-2H-pyrrol-5-one (PubChem CID 154314651) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1-methoxy-3-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-methoxy-3-methyl-2H-pyrrol-5-one
PubChem CID154314651
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1-methoxy-3-methyl-2H-pyrrol-5-one
SMILESCON1CC(C)=CC1=O
InChIInChI=1S/C6H9NO2/c1-5-3-6(8)7(4-5)9-2/h3H,4H2,1-2H3
InChIKeyVCPPQUUPJSQEOE-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-methoxy-N,2-dimethylbut-2-enamide
CID 11051774
1,3-dimethyl-2H-pyrrol-5-one
CID 12394645
1-Methoxy-1,5-dihydro-2h-pyrrol-2-one
CID 122591715
2-Ethyl-5-methyl-1,2-oxazol-3-one
CID 14484119
5-Methyl-2-propyl-1,2-oxazol-3-one
CID 76323280
N-Methoxy-N,3-dimethylbut-2-enamide
CID 14222367
N-methoxy-2-methyl-N-prop-2-enylprop-2-enamide
CID 102399833
(Z)-N-methoxy-N,2-dimethylbut-2-enamide
CID 58184393
N-ethyl-N-methoxy-2-methylprop-2-enamide
CID 58288620
N-methoxy-N,2-dimethylbut-2-enamide
CID 76718120
(Z)-N-ethyl-N-methoxybut-2-enamide
CID 89001743
2-chloro-1-methoxy-4-methyl-2H-pyrrol-5-one
CID 118342162

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-methoxy-3-methyl-2H-pyrrol-5-one (CID 154314651) is 1-methoxy-3-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-methoxy-3-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-methoxy-3-methyl-2H-pyrrol-5-one is CON1CC(C)=CC1=O.
What is the InChIKey of 1-methoxy-3-methyl-2H-pyrrol-5-one?
The InChIKey is VCPPQUUPJSQEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-5-3-6(8)7(4-5)9-2/h3H,4H2,1-2H3.
What are the key properties of 1-methoxy-3-methyl-2H-pyrrol-5-one?
1-methoxy-3-methyl-2H-pyrrol-5-one has a molecular weight of 127.14 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 154314651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).