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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Related Compounds

5H-chromeno(2,3-b)pyridin-5-one
CID 659312
6-Bromo-3-methyl-2-pyridin-4-ylchromen-4-one
CID 2098000
1-Methylchromeno[2,3-b]pyridin-1-ium-5-one
CID 355174
(5-Bromo-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone
CID 118713005
(4-Bromo-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone
CID 118713016
2,3-Dibromo-1,6-dimethylchromeno[2,3-b]pyrrol-4-one
CID 398025
1,3,6-Trimethylchromeno[2,3-b]pyrrol-4-one
CID 85758268
Benzopyrano[3,4-c]pyrrole
CID 17866717
1-Methylchromeno[2,3-b]pyridin-1-ium-5-one iodide
CID 355173
(5-Fluoro-2-propanoylphenyl) 5-bromopyridine-3-carboxylate
CID 57186281
(5-Bromo-2-fluoro-pyridin-3-yl)-(2-methoxy-phenyl)-methanone
CID 59825042
7-bromo-6-fluoro-3-iodo-5H-chromeno[2,3-b]pyridin-5-one
CID 67383179

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).