10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione

C18H15NO2 — CID 122228519

IUPAC10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione
SMILESO=C1CCN2C(=O)c3ccccc3C2(c2ccccc2)C1
InChIInChI=1S/C18H15NO2/c20-14-10-11-19-17(21)15-8-4-5-9-16(15)18(19,12-14)13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyAIMCRLMWTYOFKT-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.75
Rot. Bonds1

About 10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione

10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione (PubChem CID 122228519) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione.

Molecular Properties

Compound Name10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione
PubChem CID122228519
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione
SMILESO=C1CCN2C(=O)c3ccccc3C2(c2ccccc2)C1
InChIInChI=1S/C18H15NO2/c20-14-10-11-19-17(21)15-8-4-5-9-16(15)18(19,12-14)13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyAIMCRLMWTYOFKT-UHFFFAOYSA-N
XLogP2.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione?
The IUPAC name of 10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione (CID 122228519) is 10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione.
What is the SMILES notation for 10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione?
The canonical SMILES for 10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione is O=C1CCN2C(=O)c3ccccc3C2(c2ccccc2)C1.
What is the InChIKey of 10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione?
The InChIKey is AIMCRLMWTYOFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-14-10-11-19-17(21)15-8-4-5-9-16(15)18(19,12-14)13-6-2-1-3-7-13/h1-9H,10-12H2.
What are the key properties of 10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione?
10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione has a molecular weight of 277.32 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-phenyl-3,4-dihydro-1H-pyrido[2,1-a]isoindole-2,6-dione is sourced from PubChem (CID 122228519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).