6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane]

C17H24BrNO — CID 155152990

IUPAC6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane]
SMILESCC(C)C(C)N1CC2(CCOCC2)c2ccc(Br)cc21
InChIInChI=1S/C17H24BrNO/c1-12(2)13(3)19-11-17(6-8-20-9-7-17)15-5-4-14(18)10-16(15)19/h4-5,10,12-13H,6-9,11H2,1-3H3
InChIKeyLPVUCQRSEQKSGV-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.36
Rot. Bonds2

About 6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane]

6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane] (PubChem CID 155152990) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane].

Molecular Properties

Compound Name6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane]
PubChem CID155152990
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane]
SMILESCC(C)C(C)N1CC2(CCOCC2)c2ccc(Br)cc21
InChIInChI=1S/C17H24BrNO/c1-12(2)13(3)19-11-17(6-8-20-9-7-17)15-5-4-14(18)10-16(15)19/h4-5,10,12-13H,6-9,11H2,1-3H3
InChIKeyLPVUCQRSEQKSGV-UHFFFAOYSA-N
XLogP4.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane]?
The IUPAC name of 6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane] (CID 155152990) is 6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane].
What is the SMILES notation for 6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane]?
The canonical SMILES for 6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane] is CC(C)C(C)N1CC2(CCOCC2)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane]?
The InChIKey is LPVUCQRSEQKSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-12(2)13(3)19-11-17(6-8-20-9-7-17)15-5-4-14(18)10-16(15)19/h4-5,10,12-13H,6-9,11H2,1-3H3.
What are the key properties of 6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane]?
6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane] has a molecular weight of 338.29 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane] is sourced from PubChem (CID 155152990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).