9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one

C17H14FNO — CID 67917975

IUPAC9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3cccc(F)c3)CCCN12
InChIInChI=1S/C17H14FNO/c18-13-6-3-5-12(11-13)17-9-4-10-19(17)16(20)14-7-1-2-8-15(14)17/h1-3,5-8,11H,4,9-10H2
InChIKeyAPFQSUUVSPLPNJ-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.32
Rot. Bonds1

About 9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one

9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one (PubChem CID 67917975) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
PubChem CID67917975
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3cccc(F)c3)CCCN12
InChIInChI=1S/C17H14FNO/c18-13-6-3-5-12(11-13)17-9-4-10-19(17)16(20)14-7-1-2-8-15(14)17/h1-3,5-8,11H,4,9-10H2
InChIKeyAPFQSUUVSPLPNJ-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one?
The IUPAC name of 9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one (CID 67917975) is 9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one.
What is the SMILES notation for 9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one?
The canonical SMILES for 9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one is O=C1c2ccccc2C2(c3cccc(F)c3)CCCN12.
What is the InChIKey of 9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one?
The InChIKey is APFQSUUVSPLPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c18-13-6-3-5-12(11-13)17-9-4-10-19(17)16(20)14-7-1-2-8-15(14)17/h1-3,5-8,11H,4,9-10H2.
What are the key properties of 9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one?
9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one has a molecular weight of 267.30 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(3-fluorophenyl)-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-5-one is sourced from PubChem (CID 67917975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).