4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione

C18H19NO3 — CID 167013190

IUPAC4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione
SMILESO=C1c2cccc(C3CCCC3)c2C(=O)N1C1C=CCOC1
InChIInChI=1S/C18H19NO3/c20-17-15-9-3-8-14(12-5-1-2-6-12)16(15)18(21)19(17)13-7-4-10-22-11-13/h3-4,7-9,12-13H,1-2,5-6,10-11H2
InChIKeyPESCNBYDYPCRKA-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.90
Rot. Bonds2

About 4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione

4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione (PubChem CID 167013190) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione
PubChem CID167013190
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione
SMILESO=C1c2cccc(C3CCCC3)c2C(=O)N1C1C=CCOC1
InChIInChI=1S/C18H19NO3/c20-17-15-9-3-8-14(12-5-1-2-6-12)16(15)18(21)19(17)13-7-4-10-22-11-13/h3-4,7-9,12-13H,1-2,5-6,10-11H2
InChIKeyPESCNBYDYPCRKA-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione (CID 167013190) is 4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione is O=C1c2cccc(C3CCCC3)c2C(=O)N1C1C=CCOC1.
What is the InChIKey of 4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione?
The InChIKey is PESCNBYDYPCRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17-15-9-3-8-14(12-5-1-2-6-12)16(15)18(21)19(17)13-7-4-10-22-11-13/h3-4,7-9,12-13H,1-2,5-6,10-11H2.
What are the key properties of 4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione?
4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione has a molecular weight of 297.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(3,6-dihydro-2H-pyran-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167013190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).