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

C13H13BrN2O2 — CID 111560950

IUPAC(3-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1[nH]c2ccccc2c1Br)N1CC[C@@H](O)C1
InChIInChI=1S/C13H13BrN2O2/c14-11-9-3-1-2-4-10(9)15-12(11)13(18)16-6-5-8(17)7-16/h1-4,8,15,17H,5-7H2/t8-/m1/s1
InChIKeyQWUSLAJNMJSXKY-MRVPVSSYSA-N
MW309.16 g/mol
LogP2.14
Rot. Bonds1

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

(3-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 111560950) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is (3-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID111560950
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name(3-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1[nH]c2ccccc2c1Br)N1CC[C@@H](O)C1
InChIInChI=1S/C13H13BrN2O2/c14-11-9-3-1-2-4-10(9)15-12(11)13(18)16-6-5-8(17)7-16/h1-4,8,15,17H,5-7H2/t8-/m1/s1
InChIKeyQWUSLAJNMJSXKY-MRVPVSSYSA-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

azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone
CID 51122078
4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119239332
4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969190
[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indol-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride
CID 69075153
2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55913568
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
3-bromo-1H-indole-2-carboxylate
CID 2325687
(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79041393
6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 107262059
(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111562101
(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918604
(3-chloro-1H-indol-2-yl)-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72929030

Frequently Asked Questions

What is the IUPAC name of (3-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (3-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 111560950) is (3-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (3-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1[nH]c2ccccc2c1Br)N1CC[C@@H](O)C1.
What is the InChIKey of (3-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is QWUSLAJNMJSXKY-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-11-9-3-1-2-4-10(9)15-12(11)13(18)16-6-5-8(17)7-16/h1-4,8,15,17H,5-7H2/t8-/m1/s1.
What are the key properties of (3-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(3-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 (3-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 111560950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).