(3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine

C9H17NO2 — CID 177261927

IUPAC(3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine
SMILESC[C@@H]1OCC2COCCN2[C@@H]1C
InChIInChI=1S/C9H17NO2/c1-7-8(2)12-6-9-5-11-4-3-10(7)9/h7-9H,3-6H2,1-2H3/t7-,8+,9?/m1/s1
InChIKeyPZOXNDKRDHYAAF-WGTSGOJVSA-N
MW171.24 g/mol
LogP0.49
Rot. Bonds

About (3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine

(3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine (PubChem CID 177261927) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine.

Molecular Properties

Compound Name(3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine
PubChem CID177261927
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine
SMILESC[C@@H]1OCC2COCCN2[C@@H]1C
InChIInChI=1S/C9H17NO2/c1-7-8(2)12-6-9-5-11-4-3-10(7)9/h7-9H,3-6H2,1-2H3/t7-,8+,9?/m1/s1
InChIKeyPZOXNDKRDHYAAF-WGTSGOJVSA-N
XLogP0.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine?
The IUPAC name of (3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine (CID 177261927) is (3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine.
What is the SMILES notation for (3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine?
The canonical SMILES for (3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine is C[C@@H]1OCC2COCCN2[C@@H]1C.
What is the InChIKey of (3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine?
The InChIKey is PZOXNDKRDHYAAF-WGTSGOJVSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-8(2)12-6-9-5-11-4-3-10(7)9/h7-9H,3-6H2,1-2H3/t7-,8+,9?/m1/s1.
What are the key properties of (3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine?
(3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine has a molecular weight of 171.24 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dimethyl-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazine is sourced from PubChem (CID 177261927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).