1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one

C15H19NO3 — CID 141173385

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one
SMILESCOc1ccc(CN2CC(C)=C(C)C2=O)cc1OC
InChIInChI=1S/C15H19NO3/c1-10-8-16(15(17)11(10)2)9-12-5-6-13(18-3)14(7-12)19-4/h5-7H,8-9H2,1-4H3
InChIKeyRNOLIYTXXBOUNX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.38
Rot. Bonds4

About 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one

1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one (PubChem CID 141173385) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one
PubChem CID141173385
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one
SMILESCOc1ccc(CN2CC(C)=C(C)C2=O)cc1OC
InChIInChI=1S/C15H19NO3/c1-10-8-16(15(17)11(10)2)9-12-5-6-13(18-3)14(7-12)19-4/h5-7H,8-9H2,1-4H3
InChIKeyRNOLIYTXXBOUNX-UHFFFAOYSA-N
XLogP2.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione
CID 63789962
1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one
CID 59011747
3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one
CID 154721473
4-[(3,4-dimethoxyphenyl)methyl]-1,1-dioxo-1,4-thiazinane-3,5-dione
CID 5110518
1-[(3,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 13422557
5-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3H-isoindol-1-one
CID 46838796
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 3276658
3-chloro-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrole-2,5-dione
CID 110583714
3-(3-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4164982
3-chloro-1-[(3,4-dimethoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110583454
5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one
CID 79355225
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetonitrile
CID 60677001

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one (CID 141173385) is 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one is COc1ccc(CN2CC(C)=C(C)C2=O)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one?
The InChIKey is RNOLIYTXXBOUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-8-16(15(17)11(10)2)9-12-5-6-13(18-3)14(7-12)19-4/h5-7H,8-9H2,1-4H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one?
1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one has a molecular weight of 261.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 141173385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).