2-methoxy-1,4-dimethyl-2H-pyrrol-5-one

C7H11NO2 — CID 146290007

IUPAC2-methoxy-1,4-dimethyl-2H-pyrrol-5-one
SMILESCOC1C=C(C)C(=O)N1C
InChIInChI=1S/C7H11NO2/c1-5-4-6(10-3)8(2)7(5)9/h4,6H,1-3H3
InChIKeyGXNFPNXYFOMHQB-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.38
Rot. Bonds1

About 2-methoxy-1,4-dimethyl-2H-pyrrol-5-one

2-methoxy-1,4-dimethyl-2H-pyrrol-5-one (PubChem CID 146290007) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-methoxy-1,4-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-methoxy-1,4-dimethyl-2H-pyrrol-5-one
PubChem CID146290007
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-methoxy-1,4-dimethyl-2H-pyrrol-5-one
SMILESCOC1C=C(C)C(=O)N1C
InChIInChI=1S/C7H11NO2/c1-5-4-6(10-3)8(2)7(5)9/h4,6H,1-3H3
InChIKeyGXNFPNXYFOMHQB-UHFFFAOYSA-N
XLogP0.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butyl-5-oxo-2,5-dihydro-1h-pyrrole-3-carboxylic acid methyl ester
CID 11769448
1-tert-butyl-2-methoxy-2H-pyrrol-5-one
CID 12229406
2-methoxy-1-methyl-2H-pyrrol-5-one
CID 21826496
methyl 5-oxo-1-propyl-2H-pyrrole-3-carboxylate
CID 15857420
1-[1-(2-Methylprop-2-enoxy)ethyl]pyrrole-2,5-dione
CID 18324120
1-(3-Methoxypropyl)-3-methylpyrrole-2,5-dione
CID 43346056
2-hydroxy-1-(methoxymethyl)-4-methyl-2H-pyrrol-5-one
CID 90374988
1-(Methoxymethyl)-3-methyl-pyrrole-2,5-dione
CID 90375132
2-methoxy-1,3-dimethyl-2H-pyrrol-5-one
CID 101108111
3-Propyl-2,7-dihydro-1,3-oxazepin-4-one
CID 123165657
(Z)-N-(1-methoxyethyl)-N,2-dimethylbut-2-enamide
CID 126587608
(1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) acetate
CID 135170500

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,4-dimethyl-2H-pyrrol-5-one?
The IUPAC name of 2-methoxy-1,4-dimethyl-2H-pyrrol-5-one (CID 146290007) is 2-methoxy-1,4-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-methoxy-1,4-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for 2-methoxy-1,4-dimethyl-2H-pyrrol-5-one is COC1C=C(C)C(=O)N1C.
What is the InChIKey of 2-methoxy-1,4-dimethyl-2H-pyrrol-5-one?
The InChIKey is GXNFPNXYFOMHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-4-6(10-3)8(2)7(5)9/h4,6H,1-3H3.
What are the key properties of 2-methoxy-1,4-dimethyl-2H-pyrrol-5-one?
2-methoxy-1,4-dimethyl-2H-pyrrol-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,4-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 146290007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).