7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine

C11H21NO — CID 155207527

IUPAC7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
SMILESCC(C)C1CCC2NCCOC2C1
InChIInChI=1S/C11H21NO/c1-8(2)9-3-4-10-11(7-9)13-6-5-12-10/h8-12H,3-7H2,1-2H3
InChIKeyLLGCKQQXTDLVPP-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds1

About 7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine

7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (PubChem CID 155207527) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine.

Molecular Properties

Compound Name7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
PubChem CID155207527
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
SMILESCC(C)C1CCC2NCCOC2C1
InChIInChI=1S/C11H21NO/c1-8(2)9-3-4-10-11(7-9)13-6-5-12-10/h8-12H,3-7H2,1-2H3
InChIKeyLLGCKQQXTDLVPP-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
The IUPAC name of 7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine (CID 155207527) is 7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine.
What is the SMILES notation for 7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
The canonical SMILES for 7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine is CC(C)C1CCC2NCCOC2C1.
What is the InChIKey of 7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
The InChIKey is LLGCKQQXTDLVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)9-3-4-10-11(7-9)13-6-5-12-10/h8-12H,3-7H2,1-2H3.
What are the key properties of 7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine?
7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine is sourced from PubChem (CID 155207527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).