(5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone

C11H14BrNO2 — CID 115643711

IUPAC(5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CC(C)N(C(=O)c2ccc(Br)o2)C1
InChIInChI=1S/C11H14BrNO2/c1-7-5-8(2)13(6-7)11(14)9-3-4-10(12)15-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUWTLFQWNQJQEKX-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.91
Rot. Bonds1

About (5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone

(5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 115643711) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID115643711
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name(5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CC(C)N(C(=O)c2ccc(Br)o2)C1
InChIInChI=1S/C11H14BrNO2/c1-7-5-8(2)13(6-7)11(14)9-3-4-10(12)15-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUWTLFQWNQJQEKX-UHFFFAOYSA-N
XLogP2.91
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,5S)-4-(5-bromofuran-2-carbonyl)-2,5-dimethylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 1010202
1-(5-bromofuran-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741803
[4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 112811867
(5-bromofuran-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662274
(5-bromofuran-2-yl)-(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122273238
4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one
CID 63079543
(5-bromofuran-2-yl)-(3-ethylsulfonylazetidin-1-yl)methanone
CID 121164470
(2-bromo-3-pyridinyl)-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 103755536
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromofuran-2-yl)methanone
CID 102726484
(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone
CID 115642379
(5-bromofuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261684
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 106839225

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone (CID 115643711) is (5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone is CC1CC(C)N(C(=O)c2ccc(Br)o2)C1.
What is the InChIKey of (5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is UWTLFQWNQJQEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-5-8(2)13(6-7)11(14)9-3-4-10(12)15-9/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of (5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone?
(5-bromofuran-2-yl)-(2,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 272.14 g/mol, XLogP of 2.91, 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)-(2,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 115643711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).