(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone

C15H25NO3 — CID 114826243

IUPAC(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2CCC3(O)CCCCC3C2)CO1
InChIInChI=1S/C15H25NO3/c1-11-8-12(10-19-11)14(17)16-7-6-15(18)5-3-2-4-13(15)9-16/h11-13,18H,2-10H2,1H3
InChIKeyVXDFLFWLDBLUPY-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.57
Rot. Bonds1

About (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone

(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone (PubChem CID 114826243) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone
PubChem CID114826243
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2CCC3(O)CCCCC3C2)CO1
InChIInChI=1S/C15H25NO3/c1-11-8-12(10-19-11)14(17)16-7-6-15(18)5-3-2-4-13(15)9-16/h11-13,18H,2-10H2,1H3
InChIKeyVXDFLFWLDBLUPY-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone with MolForge

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Related Compounds

(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-cyclobutylmethanone
CID 81096994
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(oxolan-3-yl)methanone
CID 81097493
(3-methylazetidin-1-yl)-(5-methyloxolan-3-yl)methanone
CID 130634223
(5-methyloxolan-3-yl)-piperidin-1-ylmethanone
CID 114826120
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone
CID 104979230
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 81103248
4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 81097566
4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 81103991
(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone
CID 114826278
1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)pentane-1,4-dione
CID 81103621
1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107032961
(5-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 114826121

Frequently Asked Questions

What is the IUPAC name of (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone?
The IUPAC name of (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone (CID 114826243) is (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone is CC1CC(C(=O)N2CCC3(O)CCCCC3C2)CO1.
What is the InChIKey of (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone?
The InChIKey is VXDFLFWLDBLUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-8-12(10-19-11)14(17)16-7-6-15(18)5-3-2-4-13(15)9-16/h11-13,18H,2-10H2,1H3.
What are the key properties of (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone?
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone has a molecular weight of 267.37 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114826243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).