2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine

C9H17NO — CID 106364256

IUPAC2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
SMILESCC1COCC2CCCC2N1
InChIInChI=1S/C9H17NO/c1-7-5-11-6-8-3-2-4-9(8)10-7/h7-10H,2-6H2,1H3
InChIKeyYUIKMBUZFLAHRA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.16
Rot. Bonds

About 2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine

2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine (PubChem CID 106364256) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine.

Molecular Properties

Compound Name2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
PubChem CID106364256
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
SMILESCC1COCC2CCCC2N1
InChIInChI=1S/C9H17NO/c1-7-5-11-6-8-3-2-4-9(8)10-7/h7-10H,2-6H2,1H3
InChIKeyYUIKMBUZFLAHRA-UHFFFAOYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine with MolForge

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Launch Full Analysis

Related Compounds

9-methyl-3-oxabicyclo[3.3.1]nonane
CID 90743845
ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 156888841
3,5-dimethylmorpholine
CID 8862
(3S,5R)-3,5-dimethylmorpholine;hydrochloride
CID 20818712
(8aR)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 58883048
(2R)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 58997733
(4aR,8aR)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 15555472
2-(5-methylmorpholin-3-yl)cycloheptan-1-ol
CID 116685503
3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
CID 43367065
3-methyl-5-(5-methyloxolan-2-yl)morpholine
CID 130533427
2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
CID 82413509
2-methyl-1,2,3,3a,4,6,7,7a-octahydropyrano[4,3-b]pyrrole
CID 82418034

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine?
The IUPAC name of 2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine (CID 106364256) is 2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine.
What is the SMILES notation for 2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine?
The canonical SMILES for 2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine is CC1COCC2CCCC2N1.
What is the InChIKey of 2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine?
The InChIKey is YUIKMBUZFLAHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-5-11-6-8-3-2-4-9(8)10-7/h7-10H,2-6H2,1H3.
What are the key properties of 2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine?
2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine has a molecular weight of 155.24 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine is sourced from PubChem (CID 106364256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).