(4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol

C13H17NO — CID 54031293

IUPAC(4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol
SMILESOc1ccc2c(c1)C[C@@H]1CCCN[C@H]1C2
InChIInChI=1S/C13H17NO/c15-12-4-3-9-8-13-10(2-1-5-14-13)6-11(9)7-12/h3-4,7,10,13-15H,1-2,5-6,8H2/t10-,13-/m0/s1
InChIKeyLFUCQBCYFTZJHM-GWCFXTLKSA-N
MW203.29 g/mol
LogP1.86
Rot. Bonds

About (4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol

(4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol (PubChem CID 54031293) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol.

Molecular Properties

Compound Name(4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol
PubChem CID54031293
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol
SMILESOc1ccc2c(c1)C[C@@H]1CCCN[C@H]1C2
InChIInChI=1S/C13H17NO/c15-12-4-3-9-8-13-10(2-1-5-14-13)6-11(9)7-12/h3-4,7,10,13-15H,1-2,5-6,8H2/t10-,13-/m0/s1
InChIKeyLFUCQBCYFTZJHM-GWCFXTLKSA-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 (4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol?
The IUPAC name of (4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol (CID 54031293) is (4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol.
What is the SMILES notation for (4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol?
The canonical SMILES for (4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol is Oc1ccc2c(c1)C[C@@H]1CCCN[C@H]1C2.
What is the InChIKey of (4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol?
The InChIKey is LFUCQBCYFTZJHM-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H17NO/c15-12-4-3-9-8-13-10(2-1-5-14-13)6-11(9)7-12/h3-4,7,10,13-15H,1-2,5-6,8H2/t10-,13-/m0/s1.
What are the key properties of (4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol?
(4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-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 (4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol is sourced from PubChem (CID 54031293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).