6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one

C13H13NO3 — CID 67817793

IUPAC6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one
SMILESCOc1cc2cc3n(c2cc1OC)C(=O)CC3
InChIInChI=1S/C13H13NO3/c1-16-11-6-8-5-9-3-4-13(15)14(9)10(8)7-12(11)17-2/h5-7H,3-4H2,1-2H3
InChIKeyDRVDMOURWLWRII-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.24
Rot. Bonds2

About 6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one

6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one (PubChem CID 67817793) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one
PubChem CID67817793
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one
SMILESCOc1cc2cc3n(c2cc1OC)C(=O)CC3
InChIInChI=1S/C13H13NO3/c1-16-11-6-8-5-9-3-4-13(15)14(9)10(8)7-12(11)17-2/h5-7H,3-4H2,1-2H3
InChIKeyDRVDMOURWLWRII-UHFFFAOYSA-N
XLogP2.24
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone
CID 138857566
8-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one
CID 67813309
7-methoxy-2,3-dihydro-1H-pyrazino[1,2-a]indol-4-one
CID 115107432
6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde
CID 18802197
7,8-dimethoxy-3H-[1,2,4]triazino[1,6-a]indol-4-one
CID 136621355
2-chloro-1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone
CID 138857576
3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one
CID 18802200
2-[4,6-bis(5,6-dimethoxy-1,3-dioxoisoindol-2-yl)-1,3,5-triazin-2-yl]-5,6-dimethoxyisoindole-1,3-dione
CID 20721736
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one
CID 82276318
(5,6-dimethoxy-1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 71828608
(2S)-2-bromo-6-methoxy-7-methyl-1,2-dihydropyrrolo[1,2-a]indol-3-one
CID 125482477

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one?
The IUPAC name of 6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one (CID 67817793) is 6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one.
What is the SMILES notation for 6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one?
The canonical SMILES for 6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one is COc1cc2cc3n(c2cc1OC)C(=O)CC3.
What is the InChIKey of 6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one?
The InChIKey is DRVDMOURWLWRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-11-6-8-5-9-3-4-13(15)14(9)10(8)7-12(11)17-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one?
6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one has a molecular weight of 231.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2,3-dihydropyrrolo[1,2-a]indol-1-one is sourced from PubChem (CID 67817793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).