3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone

C13H19NO3 — CID 102646953

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CN2CCCC2CO1
InChIInChI=1S/C13H19NO3/c15-13(11-5-1-2-7-16-11)12-8-14-6-3-4-10(14)9-17-12/h5,10,12H,1-4,6-9H2
InChIKeyIGQFKVIGWXKDEV-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.11
Rot. Bonds2

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102646953) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102646953
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CN2CCCC2CO1
InChIInChI=1S/C13H19NO3/c15-13(11-5-1-2-7-16-11)12-8-14-6-3-4-10(14)9-17-12/h5,10,12H,1-4,6-9H2
InChIKeyIGQFKVIGWXKDEV-UHFFFAOYSA-N
XLogP1.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone with MolForge

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,5-dimethylphenyl)methanone
CID 79078218
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-fluoro-5-methylphenyl)methanone
CID 79704810
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-bromothiophen-3-yl)methanone
CID 79595074
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5,5,5-trifluoropentan-1-one
CID 113326855
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,6-difluoro-3-methylphenyl)methanone
CID 82822027
methyl (3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3-carboxylate
CID 98041438
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3-carbohydrazide
CID 86812194
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-propylpyrazol-3-yl)methanone
CID 79087928
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114641341
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)hexan-1-one
CID 79087739
N'-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3-carboximidamide
CID 126972516
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-methylbutan-1-one
CID 79446491

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102646953) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)C1CN2CCCC2CO1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is IGQFKVIGWXKDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-13(11-5-1-2-7-16-11)12-8-14-6-3-4-10(14)9-17-12/h5,10,12H,1-4,6-9H2.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102646953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).