3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane

C8H16NO2P — CID 170768487

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane
SMILESPOCC1CCC2COCCN12
InChIInChI=1S/C8H16NO2P/c12-11-6-8-2-1-7-5-10-4-3-9(7)8/h7-8H,1-6,12H2
InChIKeyQXXPBQDIFLNFDM-UHFFFAOYSA-N
MW189.19 g/mol
LogP0.66
Rot. Bonds2

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane (PubChem CID 170768487) has the molecular formula C8H16NO2P and a molecular weight of 189.19 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane
PubChem CID170768487
Molecular FormulaC8H16NO2P
Molecular Weight189.19 g/mol
Exact Mass189.09
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane
SMILESPOCC1CCC2COCCN12
InChIInChI=1S/C8H16NO2P/c12-11-6-8-2-1-7-5-10-4-3-9(7)8/h7-8H,1-6,12H2
InChIKeyQXXPBQDIFLNFDM-UHFFFAOYSA-N
XLogP0.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 177010102
[(6R)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]methanol;ethane
CID 177330814
ethane;3-ethyl-4-(oxetan-3-yl)morpholine
CID 177200740
2-(2-chloroethyl)-1-(oxolan-3-yl)pyrrolidine
CID 130533952
6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine
CID 156794987
2-(methoxymethyl)-1-(oxetan-3-yl)pyrrolidine
CID 147106850
[4-[3-(aminomethyl)cyclopentyl]morpholin-3-yl]methanol
CID 112710385
(4-cyclohexylmorpholin-3-yl)methanamine
CID 83095873
3-[1-(oxan-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 103857795
1-(oxan-3-yl)piperidine-2-carbaldehyde
CID 107137487
4-cyclobutyl-3-methylmorpholine
CID 131084475
2-(2-bromoethyl)-1-(oxolan-3-yl)piperidine
CID 80671573

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane (CID 170768487) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane is POCC1CCC2COCCN12.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane?
The InChIKey is QXXPBQDIFLNFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO2P/c12-11-6-8-2-1-7-5-10-4-3-9(7)8/h7-8H,1-6,12H2.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane has a molecular weight of 189.19 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-ylmethoxyphosphane is sourced from PubChem (CID 170768487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).