(7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine

C15H18N2 — CID 149434880

IUPAC(7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine
SMILESC1=CC2=NC3=C4CCCCN4CC[C@@H]3[C@H]2C=C1
InChIInChI=1S/C15H18N2/c1-2-6-13-11(5-1)12-8-10-17-9-4-3-7-14(17)15(12)16-13/h1-2,5-6,11-12H,3-4,7-10H2/t11-,12-/m1/s1
InChIKeyKBBUONSYVRNLSR-VXGBXAGGSA-N
MW226.32 g/mol
LogP2.90
Rot. Bonds

About (7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine

(7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine (PubChem CID 149434880) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine.

Molecular Properties

Compound Name(7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine
PubChem CID149434880
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name(7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine
SMILESC1=CC2=NC3=C4CCCCN4CC[C@@H]3[C@H]2C=C1
InChIInChI=1S/C15H18N2/c1-2-6-13-11(5-1)12-8-10-17-9-4-3-7-14(17)15(12)16-13/h1-2,5-6,11-12H,3-4,7-10H2/t11-,12-/m1/s1
InChIKeyKBBUONSYVRNLSR-VXGBXAGGSA-N
XLogP2.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine with MolForge

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Related Compounds

Hexahydroindolo[2,3-a]quinolizine
CID 18963250
N-methyltetrahydroharman
CID 68741157
9-Methyloctahydroindolo[2,3-a]quinolizine
CID 129734677
4-(5-ethenyl-3H-pyrrol-2-yl)-1-(2-fluoroethyl)piperidine
CID 142575265
1-Butyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine
CID 20328276
(1-Ethyl-1,2,3,4,6,7-hexahydro-indolo[2,3-a]quinolizin-1-yl)-propionitrile
CID 21399508
2,13-Diazapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),4,6,8,10,12,14-heptaene
CID 54211564
1'-Ethylspiro[1,4-dihydroindolo[3,2-c]quinoline-6,4'-piperidine]
CID 56984596
1'-Propylspiro[1,4-dihydroindolo[3,2-c]quinoline-6,4'-piperidine]
CID 56987228
1'-Methylspiro[1,4-dihydroindolo[3,2-c]quinoline-6,4'-piperidine]
CID 57030538
(4aS,7aR)-2-(3-ethyl-2-methyl-3,4-dihydropyridin-5-yl)-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridine
CID 57177100
6-[(4-butylpiperidin-1-yl)methyl]-2H-indole
CID 60064673

Frequently Asked Questions

What is the IUPAC name of (7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine?
The IUPAC name of (7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine (CID 149434880) is (7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine.
What is the SMILES notation for (7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine?
The canonical SMILES for (7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine is C1=CC2=NC3=C4CCCCN4CC[C@@H]3[C@H]2C=C1.
What is the InChIKey of (7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine?
The InChIKey is KBBUONSYVRNLSR-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-6-13-11(5-1)12-8-10-17-9-4-3-7-14(17)15(12)16-13/h1-2,5-6,11-12H,3-4,7-10H2/t11-,12-/m1/s1.
What are the key properties of (7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine?
(7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine has a molecular weight of 226.32 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR,7bR)-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine is sourced from PubChem (CID 149434880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).