(5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone

C9H10BrNO2 — CID 729914

IUPAC(5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Br)o1)N1CCCC1
InChIInChI=1S/C9H10BrNO2/c10-8-4-3-7(13-8)9(12)11-5-1-2-6-11/h3-4H,1-2,5-6H2
InChIKeyCHXUGJXTWLFHHF-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.28
Rot. Bonds1

About (5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone

(5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 729914) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID729914
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name(5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Br)o1)N1CCCC1
InChIInChI=1S/C9H10BrNO2/c10-8-4-3-7(13-8)9(12)11-5-1-2-6-11/h3-4H,1-2,5-6H2
InChIKeyCHXUGJXTWLFHHF-UHFFFAOYSA-N
XLogP2.28
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone (CID 729914) is (5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone is O=C(c1ccc(Br)o1)N1CCCC1.
What is the InChIKey of (5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is CHXUGJXTWLFHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-8-4-3-7(13-8)9(12)11-5-1-2-6-11/h3-4H,1-2,5-6H2.
What are the key properties of (5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone?
(5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 244.09 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 729914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).