6-(bromomethyl)-3-methyl-5,6-dihydro-4H-oxazine

C6H10BrNO — CID 11159829

IUPAC6-(bromomethyl)-3-methyl-5,6-dihydro-4H-oxazine
SMILESCC1=NOC(CBr)CC1
InChIInChI=1S/C6H10BrNO/c1-5-2-3-6(4-7)9-8-5/h6H,2-4H2,1H3
InChIKeyMQQBFVHYXRDIGW-UHFFFAOYSA-N
MW192.06 g/mol
LogP1.94
Rot. Bonds1

About 6-(bromomethyl)-3-methyl-5,6-dihydro-4H-oxazine

6-(bromomethyl)-3-methyl-5,6-dihydro-4H-oxazine (PubChem CID 11159829) has the molecular formula C6H10BrNO and a molecular weight of 192.06 g/mol. Its IUPAC name is 6-(bromomethyl)-3-methyl-5,6-dihydro-4H-oxazine.

Molecular Properties

Compound Name6-(bromomethyl)-3-methyl-5,6-dihydro-4H-oxazine
PubChem CID11159829
Molecular FormulaC6H10BrNO
Molecular Weight192.06 g/mol
Exact Mass190.99
IUPAC Name6-(bromomethyl)-3-methyl-5,6-dihydro-4H-oxazine
SMILESCC1=NOC(CBr)CC1
InChIInChI=1S/C6H10BrNO/c1-5-2-3-6(4-7)9-8-5/h6H,2-4H2,1H3
InChIKeyMQQBFVHYXRDIGW-UHFFFAOYSA-N
XLogP1.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(Bromomethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 85968587
3-Bromomethyl-5,6-di-hydro-4h-1,2-oxazine
CID 126651050
4-bromo-3-methyl-5,6-dihydro-4H-oxazine
CID 13789886
3,6-dimethyl-5,6-dihydro-4H-oxazine
CID 59168896
3-(Bromomethyl)-5-methyl-4,5-dihydro-1,2-oxazole
CID 89270452
4-Bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole
CID 146290029
4-Bromo-3,5-dimethyl-4,5-dihydro-1,2-oxazole;ethane
CID 153380646
5-(4-Bromobutyl)-3-ethyl-4,5-dihydro-1,2-oxazole
CID 13835452
5-(4-Bromobutyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 13862695
(5R)-5-(bromomethyl)-3-ethyl-4,5-dihydro-1,2-oxazole
CID 28063248
(5S)-5-(bromomethyl)-3-ethyl-4,5-dihydro-1,2-oxazole
CID 28063249
5-(Bromomethyl)-3-ethyl-4,5-dihydroisoxazole
CID 45791028

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-3-methyl-5,6-dihydro-4H-oxazine?
The IUPAC name of 6-(bromomethyl)-3-methyl-5,6-dihydro-4H-oxazine (CID 11159829) is 6-(bromomethyl)-3-methyl-5,6-dihydro-4H-oxazine.
What is the SMILES notation for 6-(bromomethyl)-3-methyl-5,6-dihydro-4H-oxazine?
The canonical SMILES for 6-(bromomethyl)-3-methyl-5,6-dihydro-4H-oxazine is CC1=NOC(CBr)CC1.
What is the InChIKey of 6-(bromomethyl)-3-methyl-5,6-dihydro-4H-oxazine?
The InChIKey is MQQBFVHYXRDIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrNO/c1-5-2-3-6(4-7)9-8-5/h6H,2-4H2,1H3.
What are the key properties of 6-(bromomethyl)-3-methyl-5,6-dihydro-4H-oxazine?
6-(bromomethyl)-3-methyl-5,6-dihydro-4H-oxazine has a molecular weight of 192.06 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-3-methyl-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 11159829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).