3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-1-methyl-3H-indol-2-one

C16H18N2O2 — CID 71728923

IUPAC3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-1-methyl-3H-indol-2-one
SMILESCOc1ccc2c(c1)C(n1c(C)ccc1C)C(=O)N2C
InChIInChI=1S/C16H18N2O2/c1-10-5-6-11(2)18(10)15-13-9-12(20-4)7-8-14(13)17(3)16(15)19/h5-9,15H,1-4H3
InChIKeyQRXABULRPGALLG-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.68
Rot. Bonds2

About 3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-1-methyl-3H-indol-2-one

3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-1-methyl-3H-indol-2-one (PubChem CID 71728923) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-1-methyl-3H-indol-2-one
PubChem CID71728923
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-1-methyl-3H-indol-2-one
SMILESCOc1ccc2c(c1)C(n1c(C)ccc1C)C(=O)N2C
InChIInChI=1S/C16H18N2O2/c1-10-5-6-11(2)18(10)15-13-9-12(20-4)7-8-14(13)17(3)16(15)19/h5-9,15H,1-4H3
InChIKeyQRXABULRPGALLG-UHFFFAOYSA-N
XLogP2.68
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(2,5-dimethylpyrrol-1-yl)-1-methyl-3H-indol-2-one
CID 71728924
1-[(6-chloro-3-pyridinyl)methyl]-3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-3H-indol-2-one
CID 71728950
3-(5-methoxy-1-methyl-2-oxo-3H-indol-3-yl)propanenitrile
CID 102289304
3-(ethylamino)-6-methoxy-1-methyl-3H-indol-2-one
CID 82236800
(3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one
CID 86313571
(1,3-dimethyl-2-oxo-3H-indol-5-yl) acetate
CID 10867765
2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one
CID 14244693
(3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione
CID 101365658
3,4-dihydroxy-7-methoxy-3H-1,4-benzoxazin-2-one
CID 71333801
3-[[4-[5-(1-tert-butyl-5-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-5-methoxy-1-methyl-3H-indol-2-one
CID 123911945
10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 23333695
3-hydroxy-6-(3-methoxyphenyl)sulfanyl-1-methyl-3H-indol-2-one
CID 81302079

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-1-methyl-3H-indol-2-one?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-1-methyl-3H-indol-2-one (CID 71728923) is 3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-1-methyl-3H-indol-2-one is COc1ccc2c(c1)C(n1c(C)ccc1C)C(=O)N2C.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-1-methyl-3H-indol-2-one?
The InChIKey is QRXABULRPGALLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-5-6-11(2)18(10)15-13-9-12(20-4)7-8-14(13)17(3)16(15)19/h5-9,15H,1-4H3.
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-1-methyl-3H-indol-2-one?
3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-1-methyl-3H-indol-2-one has a molecular weight of 270.33 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-5-methoxy-1-methyl-3H-indol-2-one is sourced from PubChem (CID 71728923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).