6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one

C12H13NO2 — CID 86072442

IUPAC6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one
SMILESCOc1ccc2c(c1)CC1CCC(=O)N21
InChIInChI=1S/C12H13NO2/c1-15-10-3-4-11-8(7-10)6-9-2-5-12(14)13(9)11/h3-4,7,9H,2,5-6H2,1H3
InChIKeyDECLSZSNFFACSZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.75
Rot. Bonds1

About 6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one

6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one (PubChem CID 86072442) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one.

Molecular Properties

Compound Name6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one
PubChem CID86072442
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one
SMILESCOc1ccc2c(c1)CC1CCC(=O)N21
InChIInChI=1S/C12H13NO2/c1-15-10-3-4-11-8(7-10)6-9-2-5-12(14)13(9)11/h3-4,7,9H,2,5-6H2,1H3
InChIKeyDECLSZSNFFACSZ-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,5S)-5-chloro-8-methoxy-5-methyl-3,3a,4,6-tetrahydro-2H-pyrrolo[1,2-a][1]benzazepin-1-one
CID 102481891
5-methoxy-1-piperidin-4-yl-3H-indol-2-one
CID 84632312
(2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine
CID 69028967
5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110742280
7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine
CID 105472893
5-methoxy-2-methyl-2,3-dihydroindol-1-amine
CID 154110611
3-benzyl-9-methoxy-4a,5,6,7-tetrahydro-2H-pyrazino[1,2-a][1]benzazepine-1,4-dione
CID 68801081
(3R,3aR)-3-ethenyl-7-methoxy-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
CID 14423901
7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
CID 19039862
13-methoxy-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 162852444
(3S,3aS)-7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
CID 22874131
(12aR)-8-methoxy-9-methyl-11,12,12a,13-tetrahydroindolo[1,2-b][2]benzazepin-6-one
CID 158897089

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one?
The IUPAC name of 6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one (CID 86072442) is 6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one.
What is the SMILES notation for 6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one?
The canonical SMILES for 6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one is COc1ccc2c(c1)CC1CCC(=O)N21.
What is the InChIKey of 6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one?
The InChIKey is DECLSZSNFFACSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-15-10-3-4-11-8(7-10)6-9-2-5-12(14)13(9)11/h3-4,7,9H,2,5-6H2,1H3.
What are the key properties of 6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one?
6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one has a molecular weight of 203.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one is sourced from PubChem (CID 86072442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).