6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine

C12H15NO2 — CID 115825726

IUPAC6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
SMILESCc1cccc2c1OC1CCOCC1N2
InChIInChI=1S/C12H15NO2/c1-8-3-2-4-9-12(8)15-11-5-6-14-7-10(11)13-9/h2-4,10-11,13H,5-7H2,1H3
InChIKeyOWJMNSMKZDPXIA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.96
Rot. Bonds

About 6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine

6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine (PubChem CID 115825726) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine.

Molecular Properties

Compound Name6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
PubChem CID115825726
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
SMILESCc1cccc2c1OC1CCOCC1N2
InChIInChI=1S/C12H15NO2/c1-8-3-2-4-9-12(8)15-11-5-6-14-7-10(11)13-9/h2-4,10-11,13H,5-7H2,1H3
InChIKeyOWJMNSMKZDPXIA-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine?
The IUPAC name of 6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine (CID 115825726) is 6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine.
What is the SMILES notation for 6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine?
The canonical SMILES for 6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine is Cc1cccc2c1OC1CCOCC1N2.
What is the InChIKey of 6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine?
The InChIKey is OWJMNSMKZDPXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-3-2-4-9-12(8)15-11-5-6-14-7-10(11)13-9/h2-4,10-11,13H,5-7H2,1H3.
What are the key properties of 6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine?
6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine has a molecular weight of 205.26 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine is sourced from PubChem (CID 115825726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).