3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine

C8H15NO — CID 43367065

IUPAC3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
SMILESCC1COC2CCCC2N1
InChIInChI=1S/C8H15NO/c1-6-5-10-8-4-2-3-7(8)9-6/h6-9H,2-5H2,1H3
InChIKeyIGKLMQHIMCGIED-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.92
Rot. Bonds

About 3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine

3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine (PubChem CID 43367065) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine.

Molecular Properties

Compound Name3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
PubChem CID43367065
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
SMILESCC1COC2CCCC2N1
InChIInChI=1S/C8H15NO/c1-6-5-10-8-4-2-3-7(8)9-6/h6-9H,2-5H2,1H3
InChIKeyIGKLMQHIMCGIED-UHFFFAOYSA-N
XLogP0.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 43174763
2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
CID 106364256
3,8,8-trimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine
CID 115824652
4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride
CID 117227945
3-methyl-5-(5-methyloxolan-2-yl)morpholine
CID 130533427
(3R,3aR,6aR)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 89392959
(4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 51863688
ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 156888841
3,5,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 64753214
4-methyl-2-(oxan-2-ylmethyl)-1,3-oxazolidine
CID 117228034
2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole
CID 164705933
(4aR,8aR)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 15555472

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine?
The IUPAC name of 3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine (CID 43367065) is 3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine.
What is the SMILES notation for 3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine?
The canonical SMILES for 3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine is CC1COC2CCCC2N1.
What is the InChIKey of 3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine?
The InChIKey is IGKLMQHIMCGIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-5-10-8-4-2-3-7(8)9-6/h6-9H,2-5H2,1H3.
What are the key properties of 3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine?
3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine has a molecular weight of 141.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine is sourced from PubChem (CID 43367065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).