3-fluoro-4-methyl-7-pyrrol-1-ylchromen-2-one

C14H10FNO2 — CID 137321291

IUPAC3-fluoro-4-methyl-7-pyrrol-1-ylchromen-2-one
SMILESCc1c(F)c(=O)oc2cc(-n3cccc3)ccc12
InChIInChI=1S/C14H10FNO2/c1-9-11-5-4-10(16-6-2-3-7-16)8-12(11)18-14(17)13(9)15/h2-8H,1H3
InChIKeyBPADOWUAJLTUTR-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.03
Rot. Bonds1

About 3-fluoro-4-methyl-7-pyrrol-1-ylchromen-2-one

3-fluoro-4-methyl-7-pyrrol-1-ylchromen-2-one (PubChem CID 137321291) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 3-fluoro-4-methyl-7-pyrrol-1-ylchromen-2-one.

Molecular Properties

Compound Name3-fluoro-4-methyl-7-pyrrol-1-ylchromen-2-one
PubChem CID137321291
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name3-fluoro-4-methyl-7-pyrrol-1-ylchromen-2-one
SMILESCc1c(F)c(=O)oc2cc(-n3cccc3)ccc12
InChIInChI=1S/C14H10FNO2/c1-9-11-5-4-10(16-6-2-3-7-16)8-12(11)18-14(17)13(9)15/h2-8H,1H3
InChIKeyBPADOWUAJLTUTR-UHFFFAOYSA-N
XLogP3.03
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-7-pyrrol-1-ylchromen-2-one?
The IUPAC name of 3-fluoro-4-methyl-7-pyrrol-1-ylchromen-2-one (CID 137321291) is 3-fluoro-4-methyl-7-pyrrol-1-ylchromen-2-one.
What is the SMILES notation for 3-fluoro-4-methyl-7-pyrrol-1-ylchromen-2-one?
The canonical SMILES for 3-fluoro-4-methyl-7-pyrrol-1-ylchromen-2-one is Cc1c(F)c(=O)oc2cc(-n3cccc3)ccc12.
What is the InChIKey of 3-fluoro-4-methyl-7-pyrrol-1-ylchromen-2-one?
The InChIKey is BPADOWUAJLTUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c1-9-11-5-4-10(16-6-2-3-7-16)8-12(11)18-14(17)13(9)15/h2-8H,1H3.
What are the key properties of 3-fluoro-4-methyl-7-pyrrol-1-ylchromen-2-one?
3-fluoro-4-methyl-7-pyrrol-1-ylchromen-2-one has a molecular weight of 243.24 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-7-pyrrol-1-ylchromen-2-one is sourced from PubChem (CID 137321291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).