(4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol

C13H17NO — CID 14879705

IUPAC(4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol
SMILESOc1cccc2c1C[C@@H]1NCCC[C@@H]1C2
InChIInChI=1S/C13H17NO/c15-13-5-1-3-9-7-10-4-2-6-14-12(10)8-11(9)13/h1,3,5,10,12,14-15H,2,4,6-8H2/t10-,12+/m1/s1
InChIKeyZEGPLOZRDHDXHP-PWSUYJOCSA-N
MW203.29 g/mol
LogP1.86
Rot. Bonds

About (4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol

(4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol (PubChem CID 14879705) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol.

Molecular Properties

Compound Name(4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol
PubChem CID14879705
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol
SMILESOc1cccc2c1C[C@@H]1NCCC[C@@H]1C2
InChIInChI=1S/C13H17NO/c15-13-5-1-3-9-7-10-4-2-6-14-12(10)8-11(9)13/h1,3,5,10,12,14-15H,2,4,6-8H2/t10-,12+/m1/s1
InChIKeyZEGPLOZRDHDXHP-PWSUYJOCSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol?
The IUPAC name of (4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol (CID 14879705) is (4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol.
What is the SMILES notation for (4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol?
The canonical SMILES for (4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol is Oc1cccc2c1C[C@@H]1NCCC[C@@H]1C2.
What is the InChIKey of (4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol?
The InChIKey is ZEGPLOZRDHDXHP-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H17NO/c15-13-5-1-3-9-7-10-4-2-6-14-12(10)8-11(9)13/h1,3,5,10,12,14-15H,2,4,6-8H2/t10-,12+/m1/s1.
What are the key properties of (4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol?
(4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol has a molecular weight of 203.29 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol is sourced from PubChem (CID 14879705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).