8-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-ol

C13H17NO2 — CID 72793465

IUPAC8-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-ol
SMILESCOc1cc2c(cc1O)C1CCCN1CC2
InChIInChI=1S/C13H17NO2/c1-16-13-7-9-4-6-14-5-2-3-11(14)10(9)8-12(13)15/h7-8,11,15H,2-6H2,1H3
InChIKeyDWRNFZKLXGRMQH-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.09
Rot. Bonds1

About 8-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-ol

8-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-ol (PubChem CID 72793465) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 8-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-ol.

Molecular Properties

Compound Name8-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-ol
PubChem CID72793465
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name8-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-ol
SMILESCOc1cc2c(cc1O)C1CCCN1CC2
InChIInChI=1S/C13H17NO2/c1-16-13-7-9-4-6-14-5-2-3-11(14)10(9)8-12(13)15/h7-8,11,15H,2-6H2,1H3
InChIKeyDWRNFZKLXGRMQH-UHFFFAOYSA-N
XLogP2.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lycorine
CID 72378
Laudanosine
CID 73397
Reticuline
CID 439653
6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline
CID 27694
Stepholidine
CID 6917970
(+-)-Laudanosine
CID 15548
Glaziovine
CID 65631
Dihydrotetrabenazine
CID 123836
(-)-Tetrahydrocolumbamine
CID 440229
Hydrastinine Hydrochloride
CID 71833
(S)-Scoulerine
CID 439654
Erysodine
CID 169017

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-ol?
The IUPAC name of 8-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-ol (CID 72793465) is 8-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-ol.
What is the SMILES notation for 8-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-ol?
The canonical SMILES for 8-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-ol is COc1cc2c(cc1O)C1CCCN1CC2.
What is the InChIKey of 8-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-ol?
The InChIKey is DWRNFZKLXGRMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13-7-9-4-6-14-5-2-3-11(14)10(9)8-12(13)15/h7-8,11,15H,2-6H2,1H3.
What are the key properties of 8-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-ol?
8-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-ol has a molecular weight of 219.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-ol is sourced from PubChem (CID 72793465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).