3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one

C12H13NO3 — CID 10466009

IUPAC3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one
SMILESCOc1ccc(C2=CC(=O)NC2)cc1OC
InChIInChI=1S/C12H13NO3/c1-15-10-4-3-8(5-11(10)16-2)9-6-12(14)13-7-9/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyUHYNHANXBDSNAZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.22
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one

3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one (PubChem CID 10466009) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one
PubChem CID10466009
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one
SMILESCOc1ccc(C2=CC(=O)NC2)cc1OC
InChIInChI=1S/C12H13NO3/c1-15-10-4-3-8(5-11(10)16-2)9-6-12(14)13-7-9/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyUHYNHANXBDSNAZ-UHFFFAOYSA-N
XLogP1.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
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(4aS,8aR)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
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(4aR,8aS)-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
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4-(4-bromophenyl)-1,2-dimethoxybenzene
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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one (CID 10466009) is 3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one is COc1ccc(C2=CC(=O)NC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one?
The InChIKey is UHYNHANXBDSNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-15-10-4-3-8(5-11(10)16-2)9-6-12(14)13-7-9/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of 3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one?
3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one has a molecular weight of 219.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 10466009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).