(6R)-3-iodo-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C8H11IN2O — CID 129450657

IUPAC(6R)-3-iodo-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1nn2c(c1I)OC[C@H](C)C2
InChIInChI=1S/C8H11IN2O/c1-5-3-11-8(12-4-5)7(9)6(2)10-11/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyAMBVKBINIOZILJ-RXMQYKEDSA-N
MW278.09 g/mol
LogP1.82
Rot. Bonds

About (6R)-3-iodo-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

(6R)-3-iodo-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 129450657) has the molecular formula C8H11IN2O and a molecular weight of 278.09 g/mol. Its IUPAC name is (6R)-3-iodo-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(6R)-3-iodo-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID129450657
Molecular FormulaC8H11IN2O
Molecular Weight278.09 g/mol
Exact Mass277.99
IUPAC Name(6R)-3-iodo-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1nn2c(c1I)OC[C@H](C)C2
InChIInChI=1S/C8H11IN2O/c1-5-3-11-8(12-4-5)7(9)6(2)10-11/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyAMBVKBINIOZILJ-RXMQYKEDSA-N
XLogP1.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-iodo-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (6R)-3-iodo-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 129450657) is (6R)-3-iodo-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (6R)-3-iodo-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (6R)-3-iodo-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is Cc1nn2c(c1I)OC[C@H](C)C2.
What is the InChIKey of (6R)-3-iodo-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is AMBVKBINIOZILJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11IN2O/c1-5-3-11-8(12-4-5)7(9)6(2)10-11/h5H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of (6R)-3-iodo-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(6R)-3-iodo-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 278.09 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-iodo-2,6-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 129450657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).