3-bromo-1-methylchromeno[2,3-b]pyrrol-4-one

C12H8BrNO2 — CID 71470680

IUPAC3-bromo-1-methylchromeno[2,3-b]pyrrol-4-one
SMILESCn1cc(Br)c2c(=O)c3ccccc3oc21
InChIInChI=1S/C12H8BrNO2/c1-14-6-8(13)10-11(15)7-4-2-3-5-9(7)16-12(10)14/h2-6H,1H3
InChIKeyUJNBAXLMDOGSDR-UHFFFAOYSA-N
MW278.10 g/mol
LogP3.05
Rot. Bonds

About 3-bromo-1-methylchromeno[2,3-b]pyrrol-4-one

3-bromo-1-methylchromeno[2,3-b]pyrrol-4-one (PubChem CID 71470680) has the molecular formula C12H8BrNO2 and a molecular weight of 278.10 g/mol. Its IUPAC name is 3-bromo-1-methylchromeno[2,3-b]pyrrol-4-one.

Molecular Properties

Compound Name3-bromo-1-methylchromeno[2,3-b]pyrrol-4-one
PubChem CID71470680
Molecular FormulaC12H8BrNO2
Molecular Weight278.10 g/mol
Exact Mass276.97
IUPAC Name3-bromo-1-methylchromeno[2,3-b]pyrrol-4-one
SMILESCn1cc(Br)c2c(=O)c3ccccc3oc21
InChIInChI=1S/C12H8BrNO2/c1-14-6-8(13)10-11(15)7-4-2-3-5-9(7)16-12(10)14/h2-6H,1H3
InChIKeyUJNBAXLMDOGSDR-UHFFFAOYSA-N
XLogP3.05
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methylchromeno[2,3-b]pyrrol-4-one?
The IUPAC name of 3-bromo-1-methylchromeno[2,3-b]pyrrol-4-one (CID 71470680) is 3-bromo-1-methylchromeno[2,3-b]pyrrol-4-one.
What is the SMILES notation for 3-bromo-1-methylchromeno[2,3-b]pyrrol-4-one?
The canonical SMILES for 3-bromo-1-methylchromeno[2,3-b]pyrrol-4-one is Cn1cc(Br)c2c(=O)c3ccccc3oc21.
What is the InChIKey of 3-bromo-1-methylchromeno[2,3-b]pyrrol-4-one?
The InChIKey is UJNBAXLMDOGSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO2/c1-14-6-8(13)10-11(15)7-4-2-3-5-9(7)16-12(10)14/h2-6H,1H3.
What are the key properties of 3-bromo-1-methylchromeno[2,3-b]pyrrol-4-one?
3-bromo-1-methylchromeno[2,3-b]pyrrol-4-one has a molecular weight of 278.10 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methylchromeno[2,3-b]pyrrol-4-one is sourced from PubChem (CID 71470680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).