5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide

C12H13BrN2O3 — CID 95969243

IUPAC5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)o1
InChIInChI=1S/C12H13BrN2O3/c13-10-4-3-9(18-10)12(17)14-7-5-11(16)15(6-7)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,14,17)/t7-/m1/s1
InChIKeyMVJKRFKFBXIPDE-SSDOTTSWSA-N
MW313.15 g/mol
LogP1.54
Rot. Bonds3

About 5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide

5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 95969243) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is 5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide
PubChem CID95969243
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)o1
InChIInChI=1S/C12H13BrN2O3/c13-10-4-3-9(18-10)12(17)14-7-5-11(16)15(6-7)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,14,17)/t7-/m1/s1
InChIKeyMVJKRFKFBXIPDE-SSDOTTSWSA-N
XLogP1.54
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 43971201
5-bromo-N-(1-cyclopropylpiperidin-4-yl)furan-2-carboxamide
CID 60730594
5-bromo-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 7255415
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
5-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822593
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromofuran-2-carboxamide
CID 22350324
5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 71789232
5-bromo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551725
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
CID 95985176
5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide
CID 99697078
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
CID 110747922

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide (CID 95969243) is 5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide is O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is MVJKRFKFBXIPDE-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c13-10-4-3-9(18-10)12(17)14-7-5-11(16)15(6-7)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,14,17)/t7-/m1/s1.
What are the key properties of 5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 313.15 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 95969243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).