1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide

C10H11BrN2O3 — CID 106852545

IUPAC1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1ccoc1Br
InChIInChI=1S/C10H11BrN2O3/c11-8-6(3-5-16-8)10(15)13-4-1-2-7(13)9(12)14/h3,5,7H,1-2,4H2,(H2,12,14)
InChIKeyQTWAZBJIPNZTMT-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.13
Rot. Bonds2

About 1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide

1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 106852545) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID106852545
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1ccoc1Br
InChIInChI=1S/C10H11BrN2O3/c11-8-6(3-5-16-8)10(15)13-4-1-2-7(13)9(12)14/h3,5,7H,1-2,4H2,(H2,12,14)
InChIKeyQTWAZBJIPNZTMT-UHFFFAOYSA-N
XLogP1.13
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorofuran-3-carbonyl)pyrrolidine-2-carboxamide
CID 106685344
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-bromofuran-3-yl)methanone
CID 106854446
(2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide
CID 93418929
(2-bromofuran-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 106853880
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532
1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 60659210
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone
CID 106856052
1-(3-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 11492936
1-[2-fluoro-3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
CID 79884124
1-(2-bromofuran-3-carbonyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085166
(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid
CID 106683530

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide (CID 106852545) is 1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is QTWAZBJIPNZTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c11-8-6(3-5-16-8)10(15)13-4-1-2-7(13)9(12)14/h3,5,7H,1-2,4H2,(H2,12,14).
What are the key properties of 1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide?
1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 287.11 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 106852545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).