9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole

C11H10BrNO — CID 82382410

IUPAC9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
SMILESBrc1cccc2c1cc1n2CCOC1
InChIInChI=1S/C11H10BrNO/c12-10-2-1-3-11-9(10)6-8-7-14-5-4-13(8)11/h1-3,6H,4-5,7H2
InChIKeyKDIXQTZVJAVCSS-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.93
Rot. Bonds

About 9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole

9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (PubChem CID 82382410) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
PubChem CID82382410
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
SMILESBrc1cccc2c1cc1n2CCOC1
InChIInChI=1S/C11H10BrNO/c12-10-2-1-3-11-9(10)6-8-7-14-5-4-13(8)11/h1-3,6H,4-5,7H2
InChIKeyKDIXQTZVJAVCSS-UHFFFAOYSA-N
XLogP2.93
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The IUPAC name of 9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (CID 82382410) is 9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for 9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for 9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole is Brc1cccc2c1cc1n2CCOC1.
What is the InChIKey of 9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The InChIKey is KDIXQTZVJAVCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c12-10-2-1-3-11-9(10)6-8-7-14-5-4-13(8)11/h1-3,6H,4-5,7H2.
What are the key properties of 9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole has a molecular weight of 252.11 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 82382410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).