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

C6H10INO — CID 23245808

IUPAC6-(iodomethyl)-3-methyl-5,6-dihydro-4H-oxazine
SMILESCC1=NOC(CI)CC1
InChIInChI=1S/C6H10INO/c1-5-2-3-6(4-7)9-8-5/h6H,2-4H2,1H3
InChIKeyNAPCKYZXRMTQLM-UHFFFAOYSA-N
MW239.06 g/mol
LogP1.98
Rot. Bonds1

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

6-(iodomethyl)-3-methyl-5,6-dihydro-4H-oxazine (PubChem CID 23245808) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is 6-(iodomethyl)-3-methyl-5,6-dihydro-4H-oxazine.

Molecular Properties

Compound Name6-(iodomethyl)-3-methyl-5,6-dihydro-4H-oxazine
PubChem CID23245808
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC Name6-(iodomethyl)-3-methyl-5,6-dihydro-4H-oxazine
SMILESCC1=NOC(CI)CC1
InChIInChI=1S/C6H10INO/c1-5-2-3-6(4-7)9-8-5/h6H,2-4H2,1H3
InChIKeyNAPCKYZXRMTQLM-UHFFFAOYSA-N
XLogP1.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(iodomethyl)-3-methyl-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

Related Compounds

4-iodo-3-methyl-5,6-dihydro-4H-oxazine
CID 13789885
3-Ethyl-5-methyl-4,5-dihydro-1,2-oxazole
CID 14401180
3,6-dimethyl-5,6-dihydro-4H-oxazine
CID 59168896
CID 59694525
CID 59694525
5-(1-Iodoethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 89672254
3,6-dimethyl-5,6-dihydro-4H-oxazine;ethane
CID 91090512
6-ethyl-3-methyl-5,6-dihydro-4H-oxazine
CID 142008119
(5R)-5-(iodomethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 11770119
3,6-Dimethyl-2-oxo-5,6-dihydro-4H-1,2lambda~5~-oxazine
CID 71367612
(5R)-3-ethyl-5-methyl-4,5-dihydro-1,2-oxazole
CID 101488299
7-(Iodomethyl)-3-methyl-4,5,6,7-tetrahydrooxazepine
CID 102242956
5-Iodo-3-propyl-4,5-dihydro-1,2-oxazole
CID 102252412

Frequently Asked Questions

What is the IUPAC name of 6-(iodomethyl)-3-methyl-5,6-dihydro-4H-oxazine?
The IUPAC name of 6-(iodomethyl)-3-methyl-5,6-dihydro-4H-oxazine (CID 23245808) is 6-(iodomethyl)-3-methyl-5,6-dihydro-4H-oxazine.
What is the SMILES notation for 6-(iodomethyl)-3-methyl-5,6-dihydro-4H-oxazine?
The canonical SMILES for 6-(iodomethyl)-3-methyl-5,6-dihydro-4H-oxazine is CC1=NOC(CI)CC1.
What is the InChIKey of 6-(iodomethyl)-3-methyl-5,6-dihydro-4H-oxazine?
The InChIKey is NAPCKYZXRMTQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO/c1-5-2-3-6(4-7)9-8-5/h6H,2-4H2,1H3.
What are the key properties of 6-(iodomethyl)-3-methyl-5,6-dihydro-4H-oxazine?
6-(iodomethyl)-3-methyl-5,6-dihydro-4H-oxazine has a molecular weight of 239.06 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(iodomethyl)-3-methyl-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 23245808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).