3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one

C21H19NO4 — CID 11703021

IUPAC3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one
SMILESCOc1cc(C2=C(C)c3cc4ccccc4n3C2=O)cc(OC)c1OC
InChIInChI=1S/C21H19NO4/c1-12-16-9-13-7-5-6-8-15(13)22(16)21(23)19(12)14-10-17(24-2)20(26-4)18(11-14)25-3/h5-11H,1-4H3
InChIKeyAFQYYUGFRLEAKX-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.25
Rot. Bonds4

About 3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one

3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one (PubChem CID 11703021) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one.

Molecular Properties

Compound Name3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one
PubChem CID11703021
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one
SMILESCOc1cc(C2=C(C)c3cc4ccccc4n3C2=O)cc(OC)c1OC
InChIInChI=1S/C21H19NO4/c1-12-16-9-13-7-5-6-8-15(13)22(16)21(23)19(12)14-10-17(24-2)20(26-4)18(11-14)25-3/h5-11H,1-4H3
InChIKeyAFQYYUGFRLEAKX-UHFFFAOYSA-N
XLogP4.25
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one
CID 102338690
3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 46185200
3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 46225317
3,4-bis(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 122205259
1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 888632
(1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide
CID 161079184
2-(3,4,5-trimethoxyphenyl)chromenylium
CID 12986342
3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 777426
2-[3-(3,4,5-trimethoxyphenyl)phenyl]isoindole-1,3-dione
CID 168517559
3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione
CID 141397575
2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene
CID 141321863
2,3-dimethylisoindolo[2,3-a]indol-6-one
CID 132525982

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one?
The IUPAC name of 3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one (CID 11703021) is 3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one.
What is the SMILES notation for 3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one?
The canonical SMILES for 3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one is COc1cc(C2=C(C)c3cc4ccccc4n3C2=O)cc(OC)c1OC.
What is the InChIKey of 3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one?
The InChIKey is AFQYYUGFRLEAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-12-16-9-13-7-5-6-8-15(13)22(16)21(23)19(12)14-10-17(24-2)20(26-4)18(11-14)25-3/h5-11H,1-4H3.
What are the key properties of 3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one?
3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one has a molecular weight of 349.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one is sourced from PubChem (CID 11703021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).