2-[3-(dimethylamino)propyl]benzo[f]isoindole-1,3-dione

C17H18N2O2 — CID 3143321

IUPAC2-[3-(dimethylamino)propyl]benzo[f]isoindole-1,3-dione
SMILESCN(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O
InChIInChI=1S/C17H18N2O2/c1-18(2)8-5-9-19-16(20)14-10-12-6-3-4-7-13(12)11-15(14)17(19)21/h3-4,6-7,10-11H,5,8-9H2,1-2H3
InChIKeyIDYJRGRCMXSCTA-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.39
Rot. Bonds4

About 2-[3-(dimethylamino)propyl]benzo[f]isoindole-1,3-dione

2-[3-(dimethylamino)propyl]benzo[f]isoindole-1,3-dione (PubChem CID 3143321) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]benzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]benzo[f]isoindole-1,3-dione
PubChem CID3143321
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[3-(dimethylamino)propyl]benzo[f]isoindole-1,3-dione
SMILESCN(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O
InChIInChI=1S/C17H18N2O2/c1-18(2)8-5-9-19-16(20)14-10-12-6-3-4-7-13(12)11-15(14)17(19)21/h3-4,6-7,10-11H,5,8-9H2,1-2H3
InChIKeyIDYJRGRCMXSCTA-UHFFFAOYSA-N
XLogP2.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(dimethylamino)propyl]benzo[f]isoindole-1,3-dione?
The IUPAC name of 2-[3-(dimethylamino)propyl]benzo[f]isoindole-1,3-dione (CID 3143321) is 2-[3-(dimethylamino)propyl]benzo[f]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]benzo[f]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(dimethylamino)propyl]benzo[f]isoindole-1,3-dione is CN(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O.
What is the InChIKey of 2-[3-(dimethylamino)propyl]benzo[f]isoindole-1,3-dione?
The InChIKey is IDYJRGRCMXSCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-18(2)8-5-9-19-16(20)14-10-12-6-3-4-7-13(12)11-15(14)17(19)21/h3-4,6-7,10-11H,5,8-9H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propyl]benzo[f]isoindole-1,3-dione?
2-[3-(dimethylamino)propyl]benzo[f]isoindole-1,3-dione has a molecular weight of 282.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]benzo[f]isoindole-1,3-dione is sourced from PubChem (CID 3143321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).