1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline

C13H15NO — CID 914243

IUPAC1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline
SMILESc1ccc2c(c1)CCN=C2[C@H]1CCCO1
InChIInChI=1S/C13H15NO/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12/h1-2,4-5,12H,3,6-9H2/t12-/m1/s1
InChIKeyLSHRXRTVJOAZIR-GFCCVEGCSA-N
MW201.27 g/mol
LogP2.21
Rot. Bonds1

About 1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline

1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline (PubChem CID 914243) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline
PubChem CID914243
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline
SMILESc1ccc2c(c1)CCN=C2[C@H]1CCCO1
InChIInChI=1S/C13H15NO/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12/h1-2,4-5,12H,3,6-9H2/t12-/m1/s1
InChIKeyLSHRXRTVJOAZIR-GFCCVEGCSA-N
XLogP2.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethylmethanamine;2-phenyloxolane
CID 71271242
3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaene
CID 141441485
2-[2-(oxolan-2-yl)phenyl]pyridine
CID 122204034
2-[(2R)-oxolan-2-yl]-1,3-benzoxazole
CID 122232513
3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine
CID 145101580
N,N-dimethyl-3,4-dihydroisoquinolin-1-amine
CID 10130189
3-(oxolan-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559126
bis(3,4-dihydroisoquinolin-1-yl)methanone
CID 174753154
N-(3,4-dihydroisoquinolin-1-yl)hydroxylamine
CID 87522084
2-fluoro-3-(oxolan-2-yl)pyridine
CID 67168066
3,4-dihydroisoquinolin-1-yl(phenyl)methanethione
CID 71373487
1-methyl-3,4-dihydroisoquinoline tetrafluoroborate
CID 174929053

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline?
The IUPAC name of 1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline (CID 914243) is 1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline?
The canonical SMILES for 1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline is c1ccc2c(c1)CCN=C2[C@H]1CCCO1.
What is the InChIKey of 1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline?
The InChIKey is LSHRXRTVJOAZIR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12/h1-2,4-5,12H,3,6-9H2/t12-/m1/s1.
What are the key properties of 1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline?
1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline has a molecular weight of 201.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline is sourced from PubChem (CID 914243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).