(5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

C13H16BrClN2O — CID 119280340

IUPAC(5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCN1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C13H15BrN2O.ClH/c14-10-3-4-12-9(8-10)5-7-16(12)13(17)11-2-1-6-15-11;/h3-4,8,11,15H,1-2,5-7H2;1H
InChIKeyDPWRCIRZOYVWDH-UHFFFAOYSA-N
MW331.64 g/mol
LogP2.51
Rot. Bonds1

About (5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

(5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (PubChem CID 119280340) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is (5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
PubChem CID119280340
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name(5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCN1)N1CCc2cc(Br)ccc21
InChIInChI=1S/C13H15BrN2O.ClH/c14-10-3-4-12-9(8-10)5-7-16(12)13(17)11-2-1-6-15-11;/h3-4,8,11,15H,1-2,5-7H2;1H
InChIKeyDPWRCIRZOYVWDH-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride 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

(6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone
CID 119324720
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 61157412
(5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone
CID 119280350
(6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
CID 113235710
1-(pyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157415
(5-bromo-2,3-dihydroindol-1-yl)-morpholin-2-ylmethanone;hydrochloride
CID 119706868
2-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120974954
(4-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
CID 174895867
1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one
CID 142480057
2-[4-[4-[1-(pyrrolidine-2-carbonyl)-2,3-dihydroindol-5-yl]cyclohexa-2,4-dien-1-yl]cyclohexyl]acetic acid
CID 91387067
(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
CID 119280335
4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride
CID 119280353

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The IUPAC name of (5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (CID 119280340) is (5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The canonical SMILES for (5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is Cl.O=C(C1CCCN1)N1CCc2cc(Br)ccc21.
What is the InChIKey of (5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The InChIKey is DPWRCIRZOYVWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O.ClH/c14-10-3-4-12-9(8-10)5-7-16(12)13(17)11-2-1-6-15-11;/h3-4,8,11,15H,1-2,5-7H2;1H.
What are the key properties of (5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
(5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride has a molecular weight of 331.64 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119280340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).