1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one

C15H16BrNO2 — CID 65154973

IUPAC1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H16BrNO2/c16-10-3-5-14-12(8-10)13(9-17-14)15(18)6-4-11-2-1-7-19-11/h3,5,8-9,11,17H,1-2,4,6-7H2
InChIKeyDBNYRSHXRHUVJC-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.07
Rot. Bonds4

About 1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one

1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 65154973) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
PubChem CID65154973
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H16BrNO2/c16-10-3-5-14-12(8-10)13(9-17-14)15(18)6-4-11-2-1-7-19-11/h3,5,8-9,11,17H,1-2,4,6-7H2
InChIKeyDBNYRSHXRHUVJC-UHFFFAOYSA-N
XLogP4.07
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154926
1-(5-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162405
5-(5-bromo-1H-indol-3-yl)-5-oxopentanoic acid
CID 43329853
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63951721
1-(2-bromo-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976829
(5-bromo-1H-indol-3-yl)-cyclopentylmethanone
CID 43162090
(5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone
CID 61272790
3-(oxolan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-one
CID 114975824
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
1-(4-bromophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952355
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 107515192
(5-fluoro-1H-indol-3-yl)-(oxolan-2-yl)methanone
CID 63839972

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one (CID 65154973) is 1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one is O=C(CCC1CCCO1)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is DBNYRSHXRHUVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c16-10-3-5-14-12(8-10)13(9-17-14)15(18)6-4-11-2-1-7-19-11/h3,5,8-9,11,17H,1-2,4,6-7H2.
What are the key properties of 1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one?
1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 322.20 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 65154973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).