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

C8H15NO — CID 143829898

IUPAC(7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESC[C@H]1CC2COCCN2C1
InChIInChI=1S/C8H15NO/c1-7-4-8-6-10-3-2-9(8)5-7/h7-8H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyDFFITIIHAPBRLZ-JAMMHHFISA-N
MW141.21 g/mol
LogP0.73
Rot. Bonds

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

(7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine (PubChem CID 143829898) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
PubChem CID143829898
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESC[C@H]1CC2COCCN2C1
InChIInChI=1S/C8H15NO/c1-7-4-8-6-10-3-2-9(8)5-7/h7-8H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyDFFITIIHAPBRLZ-JAMMHHFISA-N
XLogP0.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine with MolForge

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Related Compounds

(7R)-7-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine
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(3R)-3-methyl-1-(oxetan-3-yl)pyrrolidine
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4-[(1R,3S)-3-methylcyclopentyl]morpholine
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(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 161070530
7-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
CID 170106719
ethane;3-methyl-1-(oxetan-3-yl)azetidine
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4-[(1R,3S)-3-methylcyclohexyl]morpholine
CID 31196445
7-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine
CID 168880333
3-methyl-1-(oxan-3-yl)-1,5-diazocane
CID 63361265
6,8-dimethyl-3,4,6,7,8,9,10,10a-octahydro-1H-[1,4]oxazino[4,3-a]azepine
CID 156794987
2-(6-methyl-1,4-oxazepan-4-yl)cyclopentan-1-amine
CID 130987327
1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-8-ylmethanamine
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Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of (7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine (CID 143829898) is (7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for (7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for (7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine is C[C@H]1CC2COCCN2C1.
What is the InChIKey of (7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The InChIKey is DFFITIIHAPBRLZ-JAMMHHFISA-N. The full InChI is InChI=1S/C8H15NO/c1-7-4-8-6-10-3-2-9(8)5-7/h7-8H,2-6H2,1H3/t7-,8?/m0/s1.
What are the key properties of (7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
(7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine has a molecular weight of 141.21 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 143829898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).