isoindole-1,3-dione;pentanamide

C13H16N2O3 — CID 174742394

IUPACisoindole-1,3-dione;pentanamide
SMILESCCCCC(N)=O.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C8H5NO2.C5H11NO/c10-7-5-3-1-2-4-6(5)8(11)9-7;1-2-3-4-5(6)7/h1-4H,(H,9,10,11);2-4H2,1H3,(H2,6,7)
InChIKeyULQRWWXWSBTPAB-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.23
Rot. Bonds3

About isoindole-1,3-dione;pentanamide

isoindole-1,3-dione;pentanamide (PubChem CID 174742394) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is isoindole-1,3-dione;pentanamide.

Molecular Properties

Compound Nameisoindole-1,3-dione;pentanamide
PubChem CID174742394
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Nameisoindole-1,3-dione;pentanamide
SMILESCCCCC(N)=O.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C8H5NO2.C5H11NO/c10-7-5-3-1-2-4-6(5)8(11)9-7;1-2-3-4-5(6)7/h1-4H,(H,9,10,11);2-4H2,1H3,(H2,6,7)
InChIKeyULQRWWXWSBTPAB-UHFFFAOYSA-N
XLogP1.23
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

isoindole-1,3-dione;tetrabutylphosphanium
CID 68837365
benzene-1,4-dicarboxamide;isoindole-1,3-dione
CID 18786708
bromomethane;isoindole-1,3-dione
CID 158684384
isoindole-1,3-dione;phosphane
CID 89428738
CID 158403573
CID 158403573
hydron;isoindole-1,3-dione
CID 174301362
dichloromethane;isoindole-1,3-dione
CID 159399465
hexanamide;phthalic acid
CID 159778698
CID 157233017
CID 157233017
dipotassium;hydride;isoindole-1,3-dione
CID 173033461
acetamide;pentanamide
CID 158041283
(Z)-but-2-enedioic acid;isoindole-1,3-dione
CID 69393204

Frequently Asked Questions

What is the IUPAC name of isoindole-1,3-dione;pentanamide?
The IUPAC name of isoindole-1,3-dione;pentanamide (CID 174742394) is isoindole-1,3-dione;pentanamide.
What is the SMILES notation for isoindole-1,3-dione;pentanamide?
The canonical SMILES for isoindole-1,3-dione;pentanamide is CCCCC(N)=O.O=C1NC(=O)c2ccccc21.
What is the InChIKey of isoindole-1,3-dione;pentanamide?
The InChIKey is ULQRWWXWSBTPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2.C5H11NO/c10-7-5-3-1-2-4-6(5)8(11)9-7;1-2-3-4-5(6)7/h1-4H,(H,9,10,11);2-4H2,1H3,(H2,6,7).
What are the key properties of isoindole-1,3-dione;pentanamide?
isoindole-1,3-dione;pentanamide has a molecular weight of 248.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoindole-1,3-dione;pentanamide is sourced from PubChem (CID 174742394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).