(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone

C10H12BrNO2 — CID 106853680

IUPAC(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccoc2Br)C1
InChIInChI=1S/C10H12BrNO2/c1-7-2-4-12(6-7)10(13)8-3-5-14-9(8)11/h3,5,7H,2,4,6H2,1H3
InChIKeyCGHYMLJDWUCVOA-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.52
Rot. Bonds1

About (2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone

(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 106853680) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID106853680
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccoc2Br)C1
InChIInChI=1S/C10H12BrNO2/c1-7-2-4-12(6-7)10(13)8-3-5-14-9(8)11/h3,5,7H,2,4,6H2,1H3
InChIKeyCGHYMLJDWUCVOA-UHFFFAOYSA-N
XLogP2.52
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone
CID 106856247
(2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 106854462
(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone
CID 106856052
(2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 106852967
(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone
CID 131196683
1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile
CID 106852138
(2-bromofuran-3-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 106853961
1-(2-bromofuran-3-carbonyl)azetidine-3-carboxylic acid
CID 106851047
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117
(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 106853840
(2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone
CID 100674768
N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 106853554

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone (CID 106853680) is (2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2ccoc2Br)C1.
What is the InChIKey of (2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is CGHYMLJDWUCVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-7-2-4-12(6-7)10(13)8-3-5-14-9(8)11/h3,5,7H,2,4,6H2,1H3.
What are the key properties of (2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone?
(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 258.11 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 106853680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).