(4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

C10H13BrN2O3 — CID 106669629

IUPAC(4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESCn1cc(Br)cc1C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C10H13BrN2O3/c1-12-3-6(11)2-7(12)10(16)13-4-8(14)9(15)5-13/h2-3,8-9,14-15H,4-5H2,1H3
InChIKeyOSHAXSAVORDCSW-UHFFFAOYSA-N
MW289.13 g/mol
LogP-0.03
Rot. Bonds1

About (4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

(4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (PubChem CID 106669629) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is (4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
PubChem CID106669629
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name(4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESCn1cc(Br)cc1C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C10H13BrN2O3/c1-12-3-6(11)2-7(12)10(16)13-4-8(14)9(15)5-13/h2-3,8-9,14-15H,4-5H2,1H3
InChIKeyOSHAXSAVORDCSW-UHFFFAOYSA-N
XLogP-0.03
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-bromo-1-methylpyrrol-2-yl)methanone
CID 66213347
(4-bromo-1-methylpyrrol-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916212
3-azabicyclo[3.3.1]nonan-3-yl-(4-bromo-1-methylpyrrol-2-yl)methanone
CID 114196492
1-[4-(4-bromo-1-methylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 43411268
(3R,4R)-1-(4-bromo-1-methylpyrrole-2-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978431
1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918294
(4-bromo-1-methylpyrrol-2-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 112695890
(4-bromo-1-methylpyrrol-2-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81483261
methyl 4-(4-bromo-1-methylpyrrole-2-carbonyl)piperazine-1-carboxylate
CID 54916661
(4-bromo-1-methylpyrrol-2-yl)-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone
CID 96565183
8-azaspiro[4.5]decan-8-yl-(4-bromo-1-methylpyrrol-2-yl)methanone
CID 63161139
[4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-1-methylpyrrol-2-yl)methanone
CID 66202146

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (CID 106669629) is (4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is Cn1cc(Br)cc1C(=O)N1CC(O)C(O)C1.
What is the InChIKey of (4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The InChIKey is OSHAXSAVORDCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-12-3-6(11)2-7(12)10(16)13-4-8(14)9(15)5-13/h2-3,8-9,14-15H,4-5H2,1H3.
What are the key properties of (4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
(4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone has a molecular weight of 289.13 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 106669629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).