1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one

C13H15NO2 — CID 141163382

IUPAC1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
SMILESCOC1CC(=O)N2CCc3ccccc3C12
InChIInChI=1S/C13H15NO2/c1-16-11-8-12(15)14-7-6-9-4-2-3-5-10(9)13(11)14/h2-5,11,13H,6-8H2,1H3
InChIKeyZHNJTXVTWMYMPK-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.53
Rot. Bonds1

About 1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one

1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one (PubChem CID 141163382) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
PubChem CID141163382
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
SMILESCOC1CC(=O)N2CCc3ccccc3C12
InChIInChI=1S/C13H15NO2/c1-16-11-8-12(15)14-7-6-9-4-2-3-5-10(9)13(11)14/h2-5,11,13H,6-8H2,1H3
InChIKeyZHNJTXVTWMYMPK-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-11,14-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-3,5,7,17,19,21-hexaen-12-one
CID 11098751
2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione
CID 168865064
2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole
CID 141180935
1-(3,4,5-trimethoxyphenyl)-1,4,5,9b-tetrahydroazeto[2,1-a]isoquinolin-2-one
CID 177473444
methyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 14141086
1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
CID 13144291
2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 4314166
(1S,2S,10bR)-1,2-dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 45093566
1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
CID 3702529
methyl (1S,2R)-2-methyl-4-oxo-2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinoline-1-carboxylate
CID 10612437
(1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene
CID 23270875
methyl (1R,11bR)-9,10-dimethoxy-4-oxo-2-phenyl-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizine-1-carboxylate
CID 15267626

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The IUPAC name of 1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one (CID 141163382) is 1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one.
What is the SMILES notation for 1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The canonical SMILES for 1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one is COC1CC(=O)N2CCc3ccccc3C12.
What is the InChIKey of 1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The InChIKey is ZHNJTXVTWMYMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-11-8-12(15)14-7-6-9-4-2-3-5-10(9)13(11)14/h2-5,11,13H,6-8H2,1H3.
What are the key properties of 1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one is sourced from PubChem (CID 141163382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).