(4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

C9H17NO — CID 51863688

IUPAC(4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESCC1(C)CO[C@H]2CCC[C@H]2N1
InChIInChI=1S/C9H17NO/c1-9(2)6-11-8-5-3-4-7(8)10-9/h7-8,10H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyIBRJSVLGZIAGHC-SFYZADRCSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds

About (4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

(4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (PubChem CID 51863688) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.

Molecular Properties

Compound Name(4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
PubChem CID51863688
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESCC1(C)CO[C@H]2CCC[C@H]2N1
InChIInChI=1S/C9H17NO/c1-9(2)6-11-8-5-3-4-7(8)10-9/h7-8,10H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyIBRJSVLGZIAGHC-SFYZADRCSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine with MolForge

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Related Compounds

3,3-dimethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 43366931
3,3-dimethyl-4,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine
CID 43608947
2-cyclobutyl-4,4-dimethyl-1,3-oxazolidine
CID 117228568
(4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine
CID 139225414
(2R)-2-[(2S)-4,4-dimethyl-1,3-oxazolidin-2-yl]-4,4-dimethyl-1,3-oxazolidine
CID 139225415
(4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 66800001
4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine
CID 117228008
3-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
CID 43367065
4,4-dimethyl-2-(trideuteriomethyl)-1,3-oxazolidine
CID 10887883
2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 65101979
4,4-dimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine
CID 117228610
4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227940

Frequently Asked Questions

What is the IUPAC name of (4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The IUPAC name of (4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (CID 51863688) is (4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.
What is the SMILES notation for (4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The canonical SMILES for (4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is CC1(C)CO[C@H]2CCC[C@H]2N1.
What is the InChIKey of (4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The InChIKey is IBRJSVLGZIAGHC-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2)6-11-8-5-3-4-7(8)10-9/h7-8,10H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
(4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine has a molecular weight of 155.24 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is sourced from PubChem (CID 51863688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).