4-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine

C9H17NO — CID 23263477

IUPAC4-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine
SMILESCC1OCNC2CCCCC21
InChIInChI=1S/C9H17NO/c1-7-8-4-2-3-5-9(8)10-6-11-7/h7-10H,2-6H2,1H3
InChIKeyIVWHJMBRNSGBRW-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.51
Rot. Bonds

About 4-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine

4-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine (PubChem CID 23263477) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine.

Molecular Properties

Compound Name4-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine
PubChem CID23263477
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine
SMILESCC1OCNC2CCCCC21
InChIInChI=1S/C9H17NO/c1-7-8-4-2-3-5-9(8)10-6-11-7/h7-10H,2-6H2,1H3
InChIKeyIVWHJMBRNSGBRW-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine?
The IUPAC name of 4-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine (CID 23263477) is 4-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine.
What is the SMILES notation for 4-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine?
The canonical SMILES for 4-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine is CC1OCNC2CCCCC21.
What is the InChIKey of 4-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine?
The InChIKey is IVWHJMBRNSGBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-8-4-2-3-5-9(8)10-6-11-7/h7-10H,2-6H2,1H3.
What are the key properties of 4-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine?
4-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine has a molecular weight of 155.24 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,4,4a,5,6,7,8,8a-octahydro-1H-benzo[d][1,3]oxazine is sourced from PubChem (CID 23263477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).