3-hydroxy-1-methyl-4-(1-methyl-5-oxo-2H-pyrrol-3-yl)-2H-pyrrol-5-one

C10H12N2O3 — CID 171384825

IUPAC3-hydroxy-1-methyl-4-(1-methyl-5-oxo-2H-pyrrol-3-yl)-2H-pyrrol-5-one
SMILESCN1CC(C2=C(O)CN(C)C2=O)=CC1=O
InChIInChI=1S/C10H12N2O3/c1-11-4-6(3-8(11)14)9-7(13)5-12(2)10(9)15/h3,13H,4-5H2,1-2H3
InChIKeyLLNODUBQVKPMQW-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.33
Rot. Bonds1

About 3-hydroxy-1-methyl-4-(1-methyl-5-oxo-2H-pyrrol-3-yl)-2H-pyrrol-5-one

3-hydroxy-1-methyl-4-(1-methyl-5-oxo-2H-pyrrol-3-yl)-2H-pyrrol-5-one (PubChem CID 171384825) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-4-(1-methyl-5-oxo-2H-pyrrol-3-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-4-(1-methyl-5-oxo-2H-pyrrol-3-yl)-2H-pyrrol-5-one
PubChem CID171384825
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name3-hydroxy-1-methyl-4-(1-methyl-5-oxo-2H-pyrrol-3-yl)-2H-pyrrol-5-one
SMILESCN1CC(C2=C(O)CN(C)C2=O)=CC1=O
InChIInChI=1S/C10H12N2O3/c1-11-4-6(3-8(11)14)9-7(13)5-12(2)10(9)15/h3,13H,4-5H2,1-2H3
InChIKeyLLNODUBQVKPMQW-UHFFFAOYSA-N
XLogP-0.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-4-(1-methyl-5-oxo-2H-pyrrol-3-yl)-2H-pyrrol-5-one?
The IUPAC name of 3-hydroxy-1-methyl-4-(1-methyl-5-oxo-2H-pyrrol-3-yl)-2H-pyrrol-5-one (CID 171384825) is 3-hydroxy-1-methyl-4-(1-methyl-5-oxo-2H-pyrrol-3-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-hydroxy-1-methyl-4-(1-methyl-5-oxo-2H-pyrrol-3-yl)-2H-pyrrol-5-one?
The canonical SMILES for 3-hydroxy-1-methyl-4-(1-methyl-5-oxo-2H-pyrrol-3-yl)-2H-pyrrol-5-one is CN1CC(C2=C(O)CN(C)C2=O)=CC1=O.
What is the InChIKey of 3-hydroxy-1-methyl-4-(1-methyl-5-oxo-2H-pyrrol-3-yl)-2H-pyrrol-5-one?
The InChIKey is LLNODUBQVKPMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-11-4-6(3-8(11)14)9-7(13)5-12(2)10(9)15/h3,13H,4-5H2,1-2H3.
What are the key properties of 3-hydroxy-1-methyl-4-(1-methyl-5-oxo-2H-pyrrol-3-yl)-2H-pyrrol-5-one?
3-hydroxy-1-methyl-4-(1-methyl-5-oxo-2H-pyrrol-3-yl)-2H-pyrrol-5-one has a molecular weight of 208.22 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-4-(1-methyl-5-oxo-2H-pyrrol-3-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 171384825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).