2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]isoindole-1,3-dione

C15H17NO4 — CID 822285

IUPAC2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]isoindole-1,3-dione
SMILESCC1(CCCN2C(=O)c3ccccc3C2=O)OCCO1
InChIInChI=1S/C15H17NO4/c1-15(19-9-10-20-15)7-4-8-16-13(17)11-5-2-3-6-12(11)14(16)18/h2-3,5-6H,4,7-10H2,1H3
InChIKeyPTIADRMURDTJTF-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.83
Rot. Bonds4

About 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]isoindole-1,3-dione

2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]isoindole-1,3-dione (PubChem CID 822285) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]isoindole-1,3-dione
PubChem CID822285
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]isoindole-1,3-dione
SMILESCC1(CCCN2C(=O)c3ccccc3C2=O)OCCO1
InChIInChI=1S/C15H17NO4/c1-15(19-9-10-20-15)7-4-8-16-13(17)11-5-2-3-6-12(11)14(16)18/h2-3,5-6H,4,7-10H2,1H3
InChIKeyPTIADRMURDTJTF-UHFFFAOYSA-N
XLogP1.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]isoindole-1,3-dione (CID 822285) is 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]isoindole-1,3-dione is CC1(CCCN2C(=O)c3ccccc3C2=O)OCCO1.
What is the InChIKey of 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]isoindole-1,3-dione?
The InChIKey is PTIADRMURDTJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-15(19-9-10-20-15)7-4-8-16-13(17)11-5-2-3-6-12(11)14(16)18/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]isoindole-1,3-dione?
2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]isoindole-1,3-dione has a molecular weight of 275.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 822285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).