8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one

C11H6FNO2 — CID 145414402

IUPAC8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one
SMILESO=c1oc2ccc(F)cc2c2[nH]ccc12
InChIInChI=1S/C11H6FNO2/c12-6-1-2-9-8(5-6)10-7(3-4-13-10)11(14)15-9/h1-5,13H
InChIKeyYONVGSMCXLQLQI-UHFFFAOYSA-N
MW203.17 g/mol
LogP2.41
Rot. Bonds

About 8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one

8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one (PubChem CID 145414402) has the molecular formula C11H6FNO2 and a molecular weight of 203.17 g/mol. Its IUPAC name is 8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one.

Molecular Properties

Compound Name8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one
PubChem CID145414402
Molecular FormulaC11H6FNO2
Molecular Weight203.17 g/mol
Exact Mass203.04
IUPAC Name8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one
SMILESO=c1oc2ccc(F)cc2c2[nH]ccc12
InChIInChI=1S/C11H6FNO2/c12-6-1-2-9-8(5-6)10-7(3-4-13-10)11(14)15-9/h1-5,13H
InChIKeyYONVGSMCXLQLQI-UHFFFAOYSA-N
XLogP2.41
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethenyl-6-fluoro-4-methylchromen-2-one
CID 24787267
6-fluoro-4-hydroxy-3-(2-methylpropanoyl)chromen-2-one
CID 153315855
6-fluoro-2-oxochromene-4-carbaldehyde
CID 139198666
6-fluoro-2-(hydroxymethyl)chromen-4-one
CID 14089208
15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
CID 22574188
8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one
CID 118531178
6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one
CID 71591586
8-fluoro-6-oxobenzo[c]chromene-3-carboxylic acid
CID 151070737
2,9-difluorobenzo[b]xanthen-12-one
CID 135167571
8-fluorodibenzofuran-2-carbonitrile
CID 153329356
4-acetyl-6-fluorochromen-2-one
CID 53386591
6-fluoro-4-oxochromene-2-carboxylate
CID 6951269

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one?
The IUPAC name of 8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one (CID 145414402) is 8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one.
What is the SMILES notation for 8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one?
The canonical SMILES for 8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one is O=c1oc2ccc(F)cc2c2[nH]ccc12.
What is the InChIKey of 8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one?
The InChIKey is YONVGSMCXLQLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FNO2/c12-6-1-2-9-8(5-6)10-7(3-4-13-10)11(14)15-9/h1-5,13H.
What are the key properties of 8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one?
8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one has a molecular weight of 203.17 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one is sourced from PubChem (CID 145414402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).