2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione

C18H16N2O2 — CID 66612243

IUPAC2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione
SMILESC=Cc1ccc(CCCN2C(=O)c3ccccc3C2=O)nc1
InChIInChI=1S/C18H16N2O2/c1-2-13-9-10-14(19-12-13)6-5-11-20-17(21)15-7-3-4-8-16(15)18(20)22/h2-4,7-10,12H,1,5-6,11H2
InChIKeyUYJHHQDSLWOEIO-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.95
Rot. Bonds5

About 2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione

2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione (PubChem CID 66612243) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione
PubChem CID66612243
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione
SMILESC=Cc1ccc(CCCN2C(=O)c3ccccc3C2=O)nc1
InChIInChI=1S/C18H16N2O2/c1-2-13-9-10-14(19-12-13)6-5-11-20-17(21)15-7-3-4-8-16(15)18(20)22/h2-4,7-10,12H,1,5-6,11H2
InChIKeyUYJHHQDSLWOEIO-UHFFFAOYSA-N
XLogP2.95
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[6-(2H-triazol-4-yl)hexyl]isoindole-1,3-dione
CID 162717385
2-pentadec-14-enylisoindole-1,3-dione
CID 140882474
CID 57427465
CID 57427465
2-(4-pyrimidin-2-ylbutyl)isoindole-1,3-dione
CID 70480156
2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione
CID 172539643
2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione
CID 146273598
3-(1,3-dioxoisoindol-2-yl)propan-1-olate
CID 140721734
2-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]isoindole-1,3-dione
CID 68783163
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
2-[3-[3-[(Z)-2-(3-chlorophenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione
CID 68941009
2-[3-[3-[2-(3-chlorophenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione
CID 68941012

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione (CID 66612243) is 2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione is C=Cc1ccc(CCCN2C(=O)c3ccccc3C2=O)nc1.
What is the InChIKey of 2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione?
The InChIKey is UYJHHQDSLWOEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-13-9-10-14(19-12-13)6-5-11-20-17(21)15-7-3-4-8-16(15)18(20)22/h2-4,7-10,12H,1,5-6,11H2.
What are the key properties of 2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione?
2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione has a molecular weight of 292.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-ethenyl-2-pyridinyl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 66612243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).