4-(4-methoxyphenyl)-5-methylidenepyrrol-2-one

C12H11NO2 — CID 86691032

IUPAC4-(4-methoxyphenyl)-5-methylidenepyrrol-2-one
SMILESC=C1NC(=O)C=C1c1ccc(OC)cc1
InChIInChI=1S/C12H11NO2/c1-8-11(7-12(14)13-8)9-3-5-10(15-2)6-4-9/h3-7H,1H2,2H3,(H,13,14)
InChIKeyPTMCKOLDTQVPLO-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.72
Rot. Bonds2

About 4-(4-methoxyphenyl)-5-methylidenepyrrol-2-one

4-(4-methoxyphenyl)-5-methylidenepyrrol-2-one (PubChem CID 86691032) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methylidenepyrrol-2-one
PubChem CID86691032
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name4-(4-methoxyphenyl)-5-methylidenepyrrol-2-one
SMILESC=C1NC(=O)C=C1c1ccc(OC)cc1
InChIInChI=1S/C12H11NO2/c1-8-11(7-12(14)13-8)9-3-5-10(15-2)6-4-9/h3-7H,1H2,2H3,(H,13,14)
InChIKeyPTMCKOLDTQVPLO-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2392392
1,2-Dihydro-6-(4-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-3-pyridinecarbonitrile
CID 948702
Tmppaa
CID 889955
N-(2-(4-methoxyphenyl)ethyl)pentanamide
CID 1769471
N-[2-(4-prenyloxyphenyl)ethyl]tiglamide
CID 101683175
N-((4-methoxyphenyl)methyl)acetamide
CID 37050
3-(4-methoxyphenyl)-1H-pyrazol-5-ol
CID 815408
3,4-Bis(4-methoxyphenyl)pyrrole-2,5-dione
CID 10946795
3-[3-(4-methoxyphenyl)-2-methylacryloyl]-4,6-dimethyl-2(1H)-pyridinone
CID 5721431
3-[3-(4-ethoxyphenyl)-2-methylacryloyl]-4,6-dimethyl-2(1H)-pyridinone
CID 5726238
3-iodo-6-phenethyl-4-phenoxy-1H-pyridin-2-one
CID 118723627
3-isopropyl-6-phenethyl-4-phenoxy-1H-pyridin-2-one
CID 118723628

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-methylidenepyrrol-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-5-methylidenepyrrol-2-one (CID 86691032) is 4-(4-methoxyphenyl)-5-methylidenepyrrol-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methylidenepyrrol-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methylidenepyrrol-2-one is C=C1NC(=O)C=C1c1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-methylidenepyrrol-2-one?
The InChIKey is PTMCKOLDTQVPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-11(7-12(14)13-8)9-3-5-10(15-2)6-4-9/h3-7H,1H2,2H3,(H,13,14).
What are the key properties of 4-(4-methoxyphenyl)-5-methylidenepyrrol-2-one?
4-(4-methoxyphenyl)-5-methylidenepyrrol-2-one has a molecular weight of 201.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-methylidenepyrrol-2-one is sourced from PubChem (CID 86691032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).