5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-2-carboxamide

C11H13BrN2O3 — CID 2977895

IUPAC5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C11H13BrN2O3/c12-9-4-3-8(17-9)11(16)13-7-10(15)14-5-1-2-6-14/h3-4H,1-2,5-7H2,(H,13,16)
InChIKeyDTJANDFSPQTIEQ-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.39
Rot. Bonds3

About 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-2-carboxamide

5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-2-carboxamide (PubChem CID 2977895) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-2-carboxamide
PubChem CID2977895
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C11H13BrN2O3/c12-9-4-3-8(17-9)11(16)13-7-10(15)14-5-1-2-6-14/h3-4H,1-2,5-7H2,(H,13,16)
InChIKeyDTJANDFSPQTIEQ-UHFFFAOYSA-N
XLogP1.39
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-2-carboxamide (CID 2977895) is 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-2-carboxamide is O=C(NCC(=O)N1CCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The InChIKey is DTJANDFSPQTIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c12-9-4-3-8(17-9)11(16)13-7-10(15)14-5-1-2-6-14/h3-4H,1-2,5-7H2,(H,13,16).
What are the key properties of 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-2-carboxamide has a molecular weight of 301.14 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 2977895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).