(3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone

C10H12BrNO2 — CID 116580497

IUPAC(3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2occc2Br)CCCN1
InChIInChI=1S/C10H12BrNO2/c1-10(4-2-5-12-10)9(13)8-7(11)3-6-14-8/h3,6,12H,2,4-5H2,1H3
InChIKeyOZJTYURYKDTHGU-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.37
Rot. Bonds2

About (3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone

(3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 116580497) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone
PubChem CID116580497
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name(3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2occc2Br)CCCN1
InChIInChI=1S/C10H12BrNO2/c1-10(4-2-5-12-10)9(13)8-7(11)3-6-14-8/h3,6,12H,2,4-5H2,1H3
InChIKeyOZJTYURYKDTHGU-UHFFFAOYSA-N
XLogP2.37
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone (CID 116580497) is (3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone is CC1(C(=O)c2occc2Br)CCCN1.
What is the InChIKey of (3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is OZJTYURYKDTHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-10(4-2-5-12-10)9(13)8-7(11)3-6-14-8/h3,6,12H,2,4-5H2,1H3.
What are the key properties of (3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone?
(3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 258.11 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 116580497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).