ethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine

C11H24N2O — CID 177206108

IUPACethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
SMILESCC.CC(C)N1CC2NCCOC2C1
InChIInChI=1S/C9H18N2O.C2H6/c1-7(2)11-5-8-9(6-11)12-4-3-10-8;1-2/h7-10H,3-6H2,1-2H3;1-2H3
InChIKeySOWXYHIKDPPLFM-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.09
Rot. Bonds1

About ethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine

ethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine (PubChem CID 177206108) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is ethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine.

Molecular Properties

Compound Nameethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
PubChem CID177206108
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Nameethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
SMILESCC.CC(C)N1CC2NCCOC2C1
InChIInChI=1S/C9H18N2O.C2H6/c1-7(2)11-5-8-9(6-11)12-4-3-10-8;1-2/h7-10H,3-6H2,1-2H3;1-2H3
InChIKeySOWXYHIKDPPLFM-UHFFFAOYSA-N
XLogP1.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4aR,8aR)-6-propan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
CID 134168248
(4aS,8aR)-6-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;molecular hydrogen
CID 164555227
(4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
CID 129088215
(5aR)-7-propan-2-yl-2,3,4,5a,6,8,9,9a-octahydro-1H-pyrido[3,4-b][1,4]oxazepine
CID 134168202
6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride
CID 146675358
ethane;6-ethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 144987600
(4aS,8aR)-6-butan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
CID 134177948
(4aS,8aS)-6-[(2S)-hexan-2-yl]-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
CID 146507365
(3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 134166324
6-(2-methylpropyl)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine;hydrochloride
CID 131160100
tert-butyl (4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-6-carboxylate
CID 95002398
(6R)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 174100018

Frequently Asked Questions

What is the IUPAC name of ethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The IUPAC name of ethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine (CID 177206108) is ethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine.
What is the SMILES notation for ethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The canonical SMILES for ethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine is CC.CC(C)N1CC2NCCOC2C1.
What is the InChIKey of ethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The InChIKey is SOWXYHIKDPPLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2H6/c1-7(2)11-5-8-9(6-11)12-4-3-10-8;1-2/h7-10H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
ethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine has a molecular weight of 200.33 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine is sourced from PubChem (CID 177206108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).