(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C13H13BrN2O2 — CID 111562101

IUPAC(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@@H](O)C1
InChIInChI=1S/C13H13BrN2O2/c14-9-1-2-11-8(5-9)6-12(15-11)13(18)16-4-3-10(17)7-16/h1-2,5-6,10,15,17H,3-4,7H2/t10-/m1/s1
InChIKeyKDITUFLNUALERC-SNVBAGLBSA-N
MW309.16 g/mol
LogP2.14
Rot. Bonds1

About (5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 111562101) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is (5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID111562101
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@@H](O)C1
InChIInChI=1S/C13H13BrN2O2/c14-9-1-2-11-8(5-9)6-12(15-11)13(18)16-4-3-10(17)7-16/h1-2,5-6,10,15,17H,3-4,7H2/t10-/m1/s1
InChIKeyKDITUFLNUALERC-SNVBAGLBSA-N
XLogP2.14
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(5-bromo-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
CID 119113659
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-bromo-1H-indol-2-yl)methanone
CID 49224964
(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 30787030
4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969119
tert-butyl N-[1-(5-bromo-1H-indole-2-carbonyl)piperidin-3-yl]carbamate
CID 170794976
6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175453
[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38909280
(4,5-dichloro-1H-pyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260480
[4-[2-(4-bromophenyl)hydrazinyl]piperidin-1-yl]-(5-chloro-1H-indol-2-yl)methanone
CID 122435985
(3R)-1-(5-bromo-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695601
(4-bromo-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918089
(5-bromo-2-iodophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029701

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 111562101) is (5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@@H](O)C1.
What is the InChIKey of (5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is KDITUFLNUALERC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-9-1-2-11-8(5-9)6-12(15-11)13(18)16-4-3-10(17)7-16/h1-2,5-6,10,15,17H,3-4,7H2/t10-/m1/s1.
What are the key properties of (5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 309.16 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 111562101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).