1,2,3,4,4a,5,6,9b-octahydrofuro[2,3-h]quinolin-4-ylmethanol

C12H17NO2 — CID 112716867

IUPAC1,2,3,4,4a,5,6,9b-octahydrofuro[2,3-h]quinolin-4-ylmethanol
SMILESOCC1CCNC2c3ccoc3CCC12
InChIInChI=1S/C12H17NO2/c14-7-8-3-5-13-12-9(8)1-2-11-10(12)4-6-15-11/h4,6,8-9,12-14H,1-3,5,7H2
InChIKeyZREDHOKOLMGKDJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.48
Rot. Bonds1

About 1,2,3,4,4a,5,6,9b-octahydrofuro[2,3-h]quinolin-4-ylmethanol

1,2,3,4,4a,5,6,9b-octahydrofuro[2,3-h]quinolin-4-ylmethanol (PubChem CID 112716867) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,9b-octahydrofuro[2,3-h]quinolin-4-ylmethanol.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,9b-octahydrofuro[2,3-h]quinolin-4-ylmethanol
PubChem CID112716867
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1,2,3,4,4a,5,6,9b-octahydrofuro[2,3-h]quinolin-4-ylmethanol
SMILESOCC1CCNC2c3ccoc3CCC12
InChIInChI=1S/C12H17NO2/c14-7-8-3-5-13-12-9(8)1-2-11-10(12)4-6-15-11/h4,6,8-9,12-14H,1-3,5,7H2
InChIKeyZREDHOKOLMGKDJ-UHFFFAOYSA-N
XLogP1.48
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,9b-octahydrofuro[2,3-h]quinolin-4-ylmethanol?
The IUPAC name of 1,2,3,4,4a,5,6,9b-octahydrofuro[2,3-h]quinolin-4-ylmethanol (CID 112716867) is 1,2,3,4,4a,5,6,9b-octahydrofuro[2,3-h]quinolin-4-ylmethanol.
What is the SMILES notation for 1,2,3,4,4a,5,6,9b-octahydrofuro[2,3-h]quinolin-4-ylmethanol?
The canonical SMILES for 1,2,3,4,4a,5,6,9b-octahydrofuro[2,3-h]quinolin-4-ylmethanol is OCC1CCNC2c3ccoc3CCC12.
What is the InChIKey of 1,2,3,4,4a,5,6,9b-octahydrofuro[2,3-h]quinolin-4-ylmethanol?
The InChIKey is ZREDHOKOLMGKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-7-8-3-5-13-12-9(8)1-2-11-10(12)4-6-15-11/h4,6,8-9,12-14H,1-3,5,7H2.
What are the key properties of 1,2,3,4,4a,5,6,9b-octahydrofuro[2,3-h]quinolin-4-ylmethanol?
1,2,3,4,4a,5,6,9b-octahydrofuro[2,3-h]quinolin-4-ylmethanol has a molecular weight of 207.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,9b-octahydrofuro[2,3-h]quinolin-4-ylmethanol is sourced from PubChem (CID 112716867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).