8-fluoro-2-methyl-3H-chromeno[3,4-b]pyrrol-4-one

C12H8FNO2 — CID 121429864

IUPAC8-fluoro-2-methyl-3H-chromeno[3,4-b]pyrrol-4-one
SMILESCc1cc2c([nH]1)c(=O)oc1ccc(F)cc12
InChIInChI=1S/C12H8FNO2/c1-6-4-9-8-5-7(13)2-3-10(8)16-12(15)11(9)14-6/h2-5,14H,1H3
InChIKeyZRTOJRLERQZHEU-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.72
Rot. Bonds

About 8-fluoro-2-methyl-3H-chromeno[3,4-b]pyrrol-4-one

8-fluoro-2-methyl-3H-chromeno[3,4-b]pyrrol-4-one (PubChem CID 121429864) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is 8-fluoro-2-methyl-3H-chromeno[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name8-fluoro-2-methyl-3H-chromeno[3,4-b]pyrrol-4-one
PubChem CID121429864
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Name8-fluoro-2-methyl-3H-chromeno[3,4-b]pyrrol-4-one
SMILESCc1cc2c([nH]1)c(=O)oc1ccc(F)cc12
InChIInChI=1S/C12H8FNO2/c1-6-4-9-8-5-7(13)2-3-10(8)16-12(15)11(9)14-6/h2-5,14H,1H3
InChIKeyZRTOJRLERQZHEU-UHFFFAOYSA-N
XLogP2.72
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-3H-chromeno[3,4-b]pyrrol-4-one?
The IUPAC name of 8-fluoro-2-methyl-3H-chromeno[3,4-b]pyrrol-4-one (CID 121429864) is 8-fluoro-2-methyl-3H-chromeno[3,4-b]pyrrol-4-one.
What is the SMILES notation for 8-fluoro-2-methyl-3H-chromeno[3,4-b]pyrrol-4-one?
The canonical SMILES for 8-fluoro-2-methyl-3H-chromeno[3,4-b]pyrrol-4-one is Cc1cc2c([nH]1)c(=O)oc1ccc(F)cc12.
What is the InChIKey of 8-fluoro-2-methyl-3H-chromeno[3,4-b]pyrrol-4-one?
The InChIKey is ZRTOJRLERQZHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c1-6-4-9-8-5-7(13)2-3-10(8)16-12(15)11(9)14-6/h2-5,14H,1H3.
What are the key properties of 8-fluoro-2-methyl-3H-chromeno[3,4-b]pyrrol-4-one?
8-fluoro-2-methyl-3H-chromeno[3,4-b]pyrrol-4-one has a molecular weight of 217.20 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-3H-chromeno[3,4-b]pyrrol-4-one is sourced from PubChem (CID 121429864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).