(5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone

C11H11BrN4O2 — CID 121150950

IUPAC(5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCC(n2ccnn2)C1
InChIInChI=1S/C11H11BrN4O2/c12-10-2-1-9(18-10)11(17)15-5-3-8(7-15)16-6-4-13-14-16/h1-2,4,6,8H,3,5,7H2
InChIKeyVXEXCPHWJPEKTJ-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.72
Rot. Bonds2

About (5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone

(5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 121150950) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
PubChem CID121150950
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name(5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCC(n2ccnn2)C1
InChIInChI=1S/C11H11BrN4O2/c12-10-2-1-9(18-10)11(17)15-5-3-8(7-15)16-6-4-13-14-16/h1-2,4,6,8H,3,5,7H2
InChIKeyVXEXCPHWJPEKTJ-UHFFFAOYSA-N
XLogP1.72
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 124761305
pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150784
(3-bromophenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877388
[4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877322
3-[(3R)-1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100728081
(5-bromofuran-2-yl)-[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 91914668
1-[1-[1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948544
(5-bromofuran-2-yl)-(3-methylsulfanylpyrrolidin-1-yl)methanone
CID 86264212
2-(5-bromofuran-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862946
1-benzothiophen-2-yl-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877415
(4-thiophen-3-ylphenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877323
2-benzylsulfanyl-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99877292

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone (CID 121150950) is (5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc(Br)o1)N1CCC(n2ccnn2)C1.
What is the InChIKey of (5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is VXEXCPHWJPEKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c12-10-2-1-9(18-10)11(17)15-5-3-8(7-15)16-6-4-13-14-16/h1-2,4,6,8H,3,5,7H2.
What are the key properties of (5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
(5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 311.14 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121150950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).