(5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone

C13H12BrNO2 — CID 61272790

IUPAC(5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone
SMILESO=C(c1c[nH]c2ccc(Br)cc12)C1CCOC1
InChIInChI=1S/C13H12BrNO2/c14-9-1-2-12-10(5-9)11(6-15-12)13(16)8-3-4-17-7-8/h1-2,5-6,8,15H,3-4,7H2
InChIKeyPXCPWYRZUHOIAM-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.15
Rot. Bonds2

About (5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone

(5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone (PubChem CID 61272790) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone
PubChem CID61272790
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name(5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone
SMILESO=C(c1c[nH]c2ccc(Br)cc12)C1CCOC1
InChIInChI=1S/C13H12BrNO2/c14-9-1-2-12-10(5-9)11(6-15-12)13(16)8-3-4-17-7-8/h1-2,5-6,8,15H,3-4,7H2
InChIKeyPXCPWYRZUHOIAM-UHFFFAOYSA-N
XLogP3.15
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-1H-indol-3-yl)-cyclopentylmethanone
CID 43162090
1H-indol-3-yl(oxolan-3-yl)methanone
CID 61272977
(5-bromo-1H-indol-3-yl)-cycloheptylmethanone
CID 63491644
5-bromo-N-(oxolan-3-yl)-1H-indole-3-carboxamide
CID 172654541
oxolan-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626691
1,2-bis(5-bromo-1H-indol-3-yl)ethane-1,2-dione
CID 69439956
3-(oxane-4-carbonyl)-1H-indole-5-carbonitrile
CID 114015925
2-(5-bromo-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391844
(5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone
CID 22967081
(5-bromo-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176382
5-bromo-N-cyclopentyl-1H-indole-3-carboxamide
CID 172654540
1-(5-bromo-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162405

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone (CID 61272790) is (5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone is O=C(c1c[nH]c2ccc(Br)cc12)C1CCOC1.
What is the InChIKey of (5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone?
The InChIKey is PXCPWYRZUHOIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c14-9-1-2-12-10(5-9)11(6-15-12)13(16)8-3-4-17-7-8/h1-2,5-6,8,15H,3-4,7H2.
What are the key properties of (5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone?
(5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone has a molecular weight of 294.15 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-3-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 61272790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).