(1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol

C15H18N2O — CID 12868332

IUPAC(1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol
SMILESO[C@@H]1CCCN2CCc3c([nH]c4ccccc34)[C@H]12
InChIInChI=1S/C15H18N2O/c18-13-6-3-8-17-9-7-11-10-4-1-2-5-12(10)16-14(11)15(13)17/h1-2,4-5,13,15-16,18H,3,6-9H2/t13-,15+/m1/s1
InChIKeyHLJQECPHBQOBCB-HIFRSBDPSA-N
MW242.32 g/mol
LogP2.22
Rot. Bonds

About (1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol

(1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol (PubChem CID 12868332) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol.

Molecular Properties

Compound Name(1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol
PubChem CID12868332
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol
SMILESO[C@@H]1CCCN2CCc3c([nH]c4ccccc34)[C@H]12
InChIInChI=1S/C15H18N2O/c18-13-6-3-8-17-9-7-11-10-4-1-2-5-12(10)16-14(11)15(13)17/h1-2,4-5,13,15-16,18H,3,6-9H2/t13-,15+/m1/s1
InChIKeyHLJQECPHBQOBCB-HIFRSBDPSA-N
XLogP2.22
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol with MolForge

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Related Compounds

1-(1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl)ethanol
CID 68817015
2-[(1S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]propan-2-ol
CID 10171643
(1S)-1-[(1S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]propan-1-ol
CID 24840664
1-[(1R,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]ethanone;ethane
CID 90962597
1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141010489
(3S)-7,17-diazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene
CID 168939672
(1R,16S,21R)-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2(10),4,6,8-tetraen-20-one
CID 10125500
[(1S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]methyl 4-methylbenzenesulfonate
CID 11069611
[(1R,12bR)-1-methyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl]methanol
CID 10286084
(2S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-amine
CID 129405284
4-methylidene-3-oxa-7,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene
CID 134946779
(2S,3R,8S)-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),5,14,16,18-pentaene
CID 11872716

Frequently Asked Questions

What is the IUPAC name of (1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol?
The IUPAC name of (1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol (CID 12868332) is (1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol.
What is the SMILES notation for (1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol?
The canonical SMILES for (1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol is O[C@@H]1CCCN2CCc3c([nH]c4ccccc34)[C@H]12.
What is the InChIKey of (1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol?
The InChIKey is HLJQECPHBQOBCB-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H18N2O/c18-13-6-3-8-17-9-7-11-10-4-1-2-5-12(10)16-14(11)15(13)17/h1-2,4-5,13,15-16,18H,3,6-9H2/t13-,15+/m1/s1.
What are the key properties of (1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol?
(1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol has a molecular weight of 242.32 g/mol, XLogP of 2.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol is sourced from PubChem (CID 12868332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).