(4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one

C11H10BrNO2 — CID 71231417

IUPAC(4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one
SMILESO=C1CO[C@H]2Cc3ccc(Br)cc3[C@H]2N1
InChIInChI=1S/C11H10BrNO2/c12-7-2-1-6-3-9-11(8(6)4-7)13-10(14)5-15-9/h1-2,4,9,11H,3,5H2,(H,13,14)/t9-,11+/m0/s1
InChIKeyDXWNIRHYLNLFCW-GXSJLCMTSA-N
MW268.11 g/mol
LogP1.56
Rot. Bonds

About (4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one

(4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one (PubChem CID 71231417) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is (4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name(4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one
PubChem CID71231417
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name(4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one
SMILESO=C1CO[C@H]2Cc3ccc(Br)cc3[C@H]2N1
InChIInChI=1S/C11H10BrNO2/c12-7-2-1-6-3-9-11(8(6)4-7)13-10(14)5-15-9/h1-2,4,9,11H,3,5H2,(H,13,14)/t9-,11+/m0/s1
InChIKeyDXWNIRHYLNLFCW-GXSJLCMTSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one with MolForge

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Related Compounds

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CID 12789548
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CID 67223868
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Frequently Asked Questions

What is the IUPAC name of (4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one?
The IUPAC name of (4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one (CID 71231417) is (4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one.
What is the SMILES notation for (4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one?
The canonical SMILES for (4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one is O=C1CO[C@H]2Cc3ccc(Br)cc3[C@H]2N1.
What is the InChIKey of (4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one?
The InChIKey is DXWNIRHYLNLFCW-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H10BrNO2/c12-7-2-1-6-3-9-11(8(6)4-7)13-10(14)5-15-9/h1-2,4,9,11H,3,5H2,(H,13,14)/t9-,11+/m0/s1.
What are the key properties of (4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one?
(4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one has a molecular weight of 268.11 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9aS)-6-bromo-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one is sourced from PubChem (CID 71231417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).