(6R)-6-(propan-2-yloxymethyl)-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine

C11H19NO2 — CID 177330423

IUPAC(6R)-6-(propan-2-yloxymethyl)-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC(C)OC[C@H]1CCC2=COCCN21
InChIInChI=1S/C11H19NO2/c1-9(2)14-8-11-4-3-10-7-13-6-5-12(10)11/h7,9,11H,3-6,8H2,1-2H3/t11-/m1/s1
InChIKeyFGTYOPZKURCWIP-LLVKDONJSA-N
MW197.28 g/mol
LogP1.75
Rot. Bonds3

About (6R)-6-(propan-2-yloxymethyl)-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine

(6R)-6-(propan-2-yloxymethyl)-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine (PubChem CID 177330423) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (6R)-6-(propan-2-yloxymethyl)-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(6R)-6-(propan-2-yloxymethyl)-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine
PubChem CID177330423
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(6R)-6-(propan-2-yloxymethyl)-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC(C)OC[C@H]1CCC2=COCCN21
InChIInChI=1S/C11H19NO2/c1-9(2)14-8-11-4-3-10-7-13-6-5-12(10)11/h7,9,11H,3-6,8H2,1-2H3/t11-/m1/s1
InChIKeyFGTYOPZKURCWIP-LLVKDONJSA-N
XLogP1.75
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(propan-2-yloxymethyl)-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of (6R)-6-(propan-2-yloxymethyl)-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine (CID 177330423) is (6R)-6-(propan-2-yloxymethyl)-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for (6R)-6-(propan-2-yloxymethyl)-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for (6R)-6-(propan-2-yloxymethyl)-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine is CC(C)OC[C@H]1CCC2=COCCN21.
What is the InChIKey of (6R)-6-(propan-2-yloxymethyl)-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine?
The InChIKey is FGTYOPZKURCWIP-LLVKDONJSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)14-8-11-4-3-10-7-13-6-5-12(10)11/h7,9,11H,3-6,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (6R)-6-(propan-2-yloxymethyl)-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine?
(6R)-6-(propan-2-yloxymethyl)-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine has a molecular weight of 197.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(propan-2-yloxymethyl)-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 177330423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).