(6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine

C11H21NO2 — CID 177010102

IUPAC(6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC(C)OC[C@@H]1CC[C@H]2COCCN21
InChIInChI=1S/C11H21NO2/c1-9(2)14-8-11-4-3-10-7-13-6-5-12(10)11/h9-11H,3-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyHOPYVYRQKYHCTO-QWRGUYRKSA-N
MW199.29 g/mol
LogP1.27
Rot. Bonds3

About (6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine

(6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine (PubChem CID 177010102) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
PubChem CID177010102
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC(C)OC[C@@H]1CC[C@H]2COCCN21
InChIInChI=1S/C11H21NO2/c1-9(2)14-8-11-4-3-10-7-13-6-5-12(10)11/h9-11H,3-8H2,1-2H3/t10-,11-/m0/s1
InChIKeyHOPYVYRQKYHCTO-QWRGUYRKSA-N
XLogP1.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane
CID 170768487
[(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane
CID 177330814
2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 176568407
ethane;3-ethyl-4-(oxetan-3-yl)morpholine
CID 177200740
N-[(4-cyclopentylmorpholin-3-yl)methyl]propan-2-amine
CID 83100519
2-(methoxymethyl)-1-(oxetan-3-yl)pyrrolidine
CID 147106850
6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine
CID 156794987
7-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
CID 170106719
(4-cyclohexylmorpholin-3-yl)methanamine
CID 83095873
(2R)-1-ethyl-2-(propan-2-yloxymethyl)azetidine
CID 154980113
(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane
CID 167458864
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)-4-methylpent-1-yn-3-one
CID 156736615

Frequently Asked Questions

What is the IUPAC name of (6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of (6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine (CID 177010102) is (6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for (6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for (6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine is CC(C)OC[C@@H]1CC[C@H]2COCCN21.
What is the InChIKey of (6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The InChIKey is HOPYVYRQKYHCTO-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)14-8-11-4-3-10-7-13-6-5-12(10)11/h9-11H,3-8H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
(6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine has a molecular weight of 199.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 177010102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).