5-acetyl-4-(4-fluorophenyl)-3,4-dihydropyrano[3,2-b]indol-2-one

C19H14FNO3 — CID 102490730

IUPAC5-acetyl-4-(4-fluorophenyl)-3,4-dihydropyrano[3,2-b]indol-2-one
SMILESCC(=O)n1c2c(c3ccccc31)OC(=O)CC2c1ccc(F)cc1
InChIInChI=1S/C19H14FNO3/c1-11(22)21-16-5-3-2-4-14(16)19-18(21)15(10-17(23)24-19)12-6-8-13(20)9-7-12/h2-9,15H,10H2,1H3
InChIKeyYSJDFKDOBRROEQ-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.88
Rot. Bonds1

About 5-acetyl-4-(4-fluorophenyl)-3,4-dihydropyrano[3,2-b]indol-2-one

5-acetyl-4-(4-fluorophenyl)-3,4-dihydropyrano[3,2-b]indol-2-one (PubChem CID 102490730) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is 5-acetyl-4-(4-fluorophenyl)-3,4-dihydropyrano[3,2-b]indol-2-one.

Molecular Properties

Compound Name5-acetyl-4-(4-fluorophenyl)-3,4-dihydropyrano[3,2-b]indol-2-one
PubChem CID102490730
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name5-acetyl-4-(4-fluorophenyl)-3,4-dihydropyrano[3,2-b]indol-2-one
SMILESCC(=O)n1c2c(c3ccccc31)OC(=O)CC2c1ccc(F)cc1
InChIInChI=1S/C19H14FNO3/c1-11(22)21-16-5-3-2-4-14(16)19-18(21)15(10-17(23)24-19)12-6-8-13(20)9-7-12/h2-9,15H,10H2,1H3
InChIKeyYSJDFKDOBRROEQ-UHFFFAOYSA-N
XLogP3.88
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(4-fluorophenyl)-3,4-dihydropyrano[3,2-b]indol-2-one?
The IUPAC name of 5-acetyl-4-(4-fluorophenyl)-3,4-dihydropyrano[3,2-b]indol-2-one (CID 102490730) is 5-acetyl-4-(4-fluorophenyl)-3,4-dihydropyrano[3,2-b]indol-2-one.
What is the SMILES notation for 5-acetyl-4-(4-fluorophenyl)-3,4-dihydropyrano[3,2-b]indol-2-one?
The canonical SMILES for 5-acetyl-4-(4-fluorophenyl)-3,4-dihydropyrano[3,2-b]indol-2-one is CC(=O)n1c2c(c3ccccc31)OC(=O)CC2c1ccc(F)cc1.
What is the InChIKey of 5-acetyl-4-(4-fluorophenyl)-3,4-dihydropyrano[3,2-b]indol-2-one?
The InChIKey is YSJDFKDOBRROEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c1-11(22)21-16-5-3-2-4-14(16)19-18(21)15(10-17(23)24-19)12-6-8-13(20)9-7-12/h2-9,15H,10H2,1H3.
What are the key properties of 5-acetyl-4-(4-fluorophenyl)-3,4-dihydropyrano[3,2-b]indol-2-one?
5-acetyl-4-(4-fluorophenyl)-3,4-dihydropyrano[3,2-b]indol-2-one has a molecular weight of 323.32 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(4-fluorophenyl)-3,4-dihydropyrano[3,2-b]indol-2-one is sourced from PubChem (CID 102490730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).