(4aS,7S,8S,8aS)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol

C10H19NO — CID 162940772

IUPAC(4aS,7S,8S,8aS)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol
SMILESC[C@H]1[C@H]2NCCC[C@H]2CC[C@@H]1O
InChIInChI=1S/C10H19NO/c1-7-9(12)5-4-8-3-2-6-11-10(7)8/h7-12H,2-6H2,1H3/t7-,8+,9+,10-/m1/s1
InChIKeyBSPUVYFGURDFHE-XFWSIPNHSA-N
MW169.27 g/mol
LogP1.15
Rot. Bonds

About (4aS,7S,8S,8aS)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol

(4aS,7S,8S,8aS)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol (PubChem CID 162940772) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4aS,7S,8S,8aS)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol.

Molecular Properties

Compound Name(4aS,7S,8S,8aS)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol
PubChem CID162940772
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4aS,7S,8S,8aS)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol
SMILESC[C@H]1[C@H]2NCCC[C@H]2CC[C@@H]1O
InChIInChI=1S/C10H19NO/c1-7-9(12)5-4-8-3-2-6-11-10(7)8/h7-12H,2-6H2,1H3/t7-,8+,9+,10-/m1/s1
InChIKeyBSPUVYFGURDFHE-XFWSIPNHSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS,7S,8S,8aS)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol?
The IUPAC name of (4aS,7S,8S,8aS)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol (CID 162940772) is (4aS,7S,8S,8aS)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol.
What is the SMILES notation for (4aS,7S,8S,8aS)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol?
The canonical SMILES for (4aS,7S,8S,8aS)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol is C[C@H]1[C@H]2NCCC[C@H]2CC[C@@H]1O.
What is the InChIKey of (4aS,7S,8S,8aS)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol?
The InChIKey is BSPUVYFGURDFHE-XFWSIPNHSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-9(12)5-4-8-3-2-6-11-10(7)8/h7-12H,2-6H2,1H3/t7-,8+,9+,10-/m1/s1.
What are the key properties of (4aS,7S,8S,8aS)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol?
(4aS,7S,8S,8aS)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol has a molecular weight of 169.27 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7S,8S,8aS)-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol is sourced from PubChem (CID 162940772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).