(5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone

C14H15BrN2O — CID 172654558

IUPAC(5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCn1cc(C(=O)N2CCCC2)c2cc(Br)ccc21
InChIInChI=1S/C14H15BrN2O/c1-16-9-12(14(18)17-6-2-3-7-17)11-8-10(15)4-5-13(11)16/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyXYLYZQFEAQLIGJ-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.18
Rot. Bonds1

About (5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone

(5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 172654558) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is (5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID172654558
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name(5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCn1cc(C(=O)N2CCCC2)c2cc(Br)ccc21
InChIInChI=1S/C14H15BrN2O/c1-16-9-12(14(18)17-6-2-3-7-17)11-8-10(15)4-5-13(11)16/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyXYLYZQFEAQLIGJ-UHFFFAOYSA-N
XLogP3.18
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone 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-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 172654563
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
(5-bromo-1-methylindol-3-yl)-cyclobutylmethanone
CID 82278845
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(3-bromophenyl)-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]methanone
CID 29139468
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
(E)-3-(5-bromo-1-methylindol-3-yl)but-2-enoic acid
CID 82278720
(6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 172654878
(5-ethyl-1-methylindol-3-yl)-piperazin-1-ylmethanone
CID 95432972
6-ethoxy-1-methyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 30133978
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone (CID 172654558) is (5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone is Cn1cc(C(=O)N2CCCC2)c2cc(Br)ccc21.
What is the InChIKey of (5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is XYLYZQFEAQLIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-16-9-12(14(18)17-6-2-3-7-17)11-8-10(15)4-5-13(11)16/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of (5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone?
(5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 307.19 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-methylindol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 172654558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).