(4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol

C13H17NO — CID 149434879

IUPAC(4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol
SMILESOC1=CC=CC2=C3CCCN[C@H]3CC[C@H]12
InChIInChI=1S/C13H17NO/c15-13-5-1-3-9-10-4-2-8-14-12(10)7-6-11(9)13/h1,3,5,11-12,14-15H,2,4,6-8H2/t11-,12-/m0/s1
InChIKeyPLSLVSMEDDTOCR-RYUDHWBXSA-N
MW203.28 g/mol
LogP2.46
Rot. Bonds

About (4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol

(4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol (PubChem CID 149434879) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol.

Molecular Properties

Compound Name(4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol
PubChem CID149434879
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol
SMILESOC1=CC=CC2=C3CCCN[C@H]3CC[C@H]12
InChIInChI=1S/C13H17NO/c15-13-5-1-3-9-10-4-2-8-14-12(10)7-6-11(9)13/h1,3,5,11-12,14-15H,2,4,6-8H2/t11-,12-/m0/s1
InChIKeyPLSLVSMEDDTOCR-RYUDHWBXSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol?
The IUPAC name of (4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol (CID 149434879) is (4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol.
What is the SMILES notation for (4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol?
The canonical SMILES for (4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol is OC1=CC=CC2=C3CCCN[C@H]3CC[C@H]12.
What is the InChIKey of (4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol?
The InChIKey is PLSLVSMEDDTOCR-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H17NO/c15-13-5-1-3-9-10-4-2-8-14-12(10)7-6-11(9)13/h1,3,5,11-12,14-15H,2,4,6-8H2/t11-,12-/m0/s1.
What are the key properties of (4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol?
(4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol has a molecular weight of 203.28 g/mol, XLogP of 2.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6aS)-1,2,3,4,4a,5,6,6a-octahydrobenzo[f]quinolin-7-ol is sourced from PubChem (CID 149434879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).