4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one

C10H11BrN2O3 — CID 63079543

IUPAC4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1ccc(Br)o1
InChIInChI=1S/C10H11BrN2O3/c1-6-9(14)12-4-5-13(6)10(15)7-2-3-8(11)16-7/h2-3,6H,4-5H2,1H3,(H,12,14)
InChIKeyCAOQQWPGKDKRJH-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.00
Rot. Bonds1

About 4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one

4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one (PubChem CID 63079543) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one
PubChem CID63079543
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1ccc(Br)o1
InChIInChI=1S/C10H11BrN2O3/c1-6-9(14)12-4-5-13(6)10(15)7-2-3-8(11)16-7/h2-3,6H,4-5H2,1H3,(H,12,14)
InChIKeyCAOQQWPGKDKRJH-UHFFFAOYSA-N
XLogP1.00
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one (CID 63079543) is 4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)c1ccc(Br)o1.
What is the InChIKey of 4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is CAOQQWPGKDKRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-6-9(14)12-4-5-13(6)10(15)7-2-3-8(11)16-7/h2-3,6H,4-5H2,1H3,(H,12,14).
What are the key properties of 4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one?
4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 287.11 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63079543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).