2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione

C19H20N2O2 — CID 122510336

IUPAC2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione
SMILESNc1cccc(CCCCCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H20N2O2/c20-15-9-6-8-14(13-15)7-2-1-5-12-21-18(22)16-10-3-4-11-17(16)19(21)23/h3-4,6,8-11,13H,1-2,5,7,12,20H2
InChIKeyWPVUPMUTAVRUAR-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.28
Rot. Bonds6

About 2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione

2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione (PubChem CID 122510336) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione
PubChem CID122510336
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione
SMILESNc1cccc(CCCCCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H20N2O2/c20-15-9-6-8-14(13-15)7-2-1-5-12-21-18(22)16-10-3-4-11-17(16)19(21)23/h3-4,6,8-11,13H,1-2,5,7,12,20H2
InChIKeyWPVUPMUTAVRUAR-UHFFFAOYSA-N
XLogP3.28
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-aminophenyl)ethyl]isoindole-1,3-dione
CID 67219583
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[6-(4-bromophenyl)hexyl]isoindole-1,3-dione
CID 68789192
2-(10-pyridin-3-yldecyl)isoindole-1,3-dione
CID 11394426
2-[3-[3-[2-(3,5-dimethylphenyl)ethenyl]phenyl]propyl]isoindole-1,3-dione
CID 68944362
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
2-[2-(4-aminophenyl)ethyl]isoindole-1,3-dione
CID 10849371
CID 171374663
CID 171374663
CID 88976080
CID 88976080
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione?
The IUPAC name of 2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione (CID 122510336) is 2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione is Nc1cccc(CCCCCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione?
The InChIKey is WPVUPMUTAVRUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c20-15-9-6-8-14(13-15)7-2-1-5-12-21-18(22)16-10-3-4-11-17(16)19(21)23/h3-4,6,8-11,13H,1-2,5,7,12,20H2.
What are the key properties of 2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione?
2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione has a molecular weight of 308.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-aminophenyl)pentyl]isoindole-1,3-dione is sourced from PubChem (CID 122510336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).