benzene;3,6-dimethyl-5,6-dihydro-4H-oxazine

C12H17NO — CID 143617797

IUPACbenzene;3,6-dimethyl-5,6-dihydro-4H-oxazine
SMILESCC1=NOC(C)CC1.c1ccccc1
InChIInChI=1S/C6H11NO.C6H6/c1-5-3-4-6(2)8-7-5;1-2-4-6-5-3-1/h6H,3-4H2,1-2H3;1-6H
InChIKeyBZUFDAUBOJXDMW-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.25
Rot. Bonds

About benzene;3,6-dimethyl-5,6-dihydro-4H-oxazine

benzene;3,6-dimethyl-5,6-dihydro-4H-oxazine (PubChem CID 143617797) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is benzene;3,6-dimethyl-5,6-dihydro-4H-oxazine.

Molecular Properties

Compound Namebenzene;3,6-dimethyl-5,6-dihydro-4H-oxazine
PubChem CID143617797
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namebenzene;3,6-dimethyl-5,6-dihydro-4H-oxazine
SMILESCC1=NOC(C)CC1.c1ccccc1
InChIInChI=1S/C6H11NO.C6H6/c1-5-3-4-6(2)8-7-5;1-2-4-6-5-3-1/h6H,3-4H2,1-2H3;1-6H
InChIKeyBZUFDAUBOJXDMW-UHFFFAOYSA-N
XLogP3.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzene;3,6-dimethyl-5,6-dihydro-4H-oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene;3,6-dimethyl-5,6-dihydro-4H-oxazine?
The IUPAC name of benzene;3,6-dimethyl-5,6-dihydro-4H-oxazine (CID 143617797) is benzene;3,6-dimethyl-5,6-dihydro-4H-oxazine.
What is the SMILES notation for benzene;3,6-dimethyl-5,6-dihydro-4H-oxazine?
The canonical SMILES for benzene;3,6-dimethyl-5,6-dihydro-4H-oxazine is CC1=NOC(C)CC1.c1ccccc1.
What is the InChIKey of benzene;3,6-dimethyl-5,6-dihydro-4H-oxazine?
The InChIKey is BZUFDAUBOJXDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C6H6/c1-5-3-4-6(2)8-7-5;1-2-4-6-5-3-1/h6H,3-4H2,1-2H3;1-6H.
What are the key properties of benzene;3,6-dimethyl-5,6-dihydro-4H-oxazine?
benzene;3,6-dimethyl-5,6-dihydro-4H-oxazine has a molecular weight of 191.27 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3,6-dimethyl-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 143617797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).