(3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol

C12H16N2O — CID 70965583

IUPAC(3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol
SMILESCN1CC[C@H]2CC(O)c3ccncc3[C@H]21
InChIInChI=1S/C12H16N2O/c1-14-5-3-8-6-11(15)9-2-4-13-7-10(9)12(8)14/h2,4,7-8,11-12,15H,3,5-6H2,1H3/t8-,11?,12-/m0/s1
InChIKeyIEAOWIYYEASIAE-XWMUTSTRSA-N
MW204.27 g/mol
LogP1.51
Rot. Bonds

About (3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol

(3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol (PubChem CID 70965583) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol.

Molecular Properties

Compound Name(3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol
PubChem CID70965583
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol
SMILESCN1CC[C@H]2CC(O)c3ccncc3[C@H]21
InChIInChI=1S/C12H16N2O/c1-14-5-3-8-6-11(15)9-2-4-13-7-10(9)12(8)14/h2,4,7-8,11-12,15H,3,5-6H2,1H3/t8-,11?,12-/m0/s1
InChIKeyIEAOWIYYEASIAE-XWMUTSTRSA-N
XLogP1.51
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,6S)-3-methyl-3,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride
CID 66588873
1-methyl-2-(3-methyl-4-pyridinyl)pyrrolidin-3-amine
CID 131107836
4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;ethane
CID 144567672
8-[(3E)-penta-1,3-dien-3-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol
CID 142041822
(6R)-3-methyl-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene
CID 68800251
3-(3-cyclopropyl-4-pyridinyl)-4-methylmorpholine
CID 163447366
4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid
CID 115024586
1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinoline
CID 12841383
4-methyl-3-(1-methylpiperidin-2-yl)pyridine
CID 102539165
(5R)-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol
CID 92845053
6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol
CID 12042863
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843

Frequently Asked Questions

What is the IUPAC name of (3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol?
The IUPAC name of (3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol (CID 70965583) is (3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol.
What is the SMILES notation for (3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol?
The canonical SMILES for (3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol is CN1CC[C@H]2CC(O)c3ccncc3[C@H]21.
What is the InChIKey of (3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol?
The InChIKey is IEAOWIYYEASIAE-XWMUTSTRSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14-5-3-8-6-11(15)9-2-4-13-7-10(9)12(8)14/h2,4,7-8,11-12,15H,3,5-6H2,1H3/t8-,11?,12-/m0/s1.
What are the key properties of (3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol?
(3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol has a molecular weight of 204.27 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinolin-5-ol is sourced from PubChem (CID 70965583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).