N-(1,3-dioxoisoindol-5-yl)butanamide

C12H12N2O3 — CID 7157941

IUPACN-(1,3-dioxoisoindol-5-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C12H12N2O3/c1-2-3-10(15)13-7-4-5-8-9(6-7)12(17)14-11(8)16/h4-6H,2-3H2,1H3,(H,13,15)(H,14,16,17)
InChIKeyHYNFGUHAYZBBCE-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.31
Rot. Bonds3

About N-(1,3-dioxoisoindol-5-yl)butanamide

N-(1,3-dioxoisoindol-5-yl)butanamide (PubChem CID 7157941) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)butanamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)butanamide
PubChem CID7157941
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-(1,3-dioxoisoindol-5-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C12H12N2O3/c1-2-3-10(15)13-7-4-5-8-9(6-7)12(17)14-11(8)16/h4-6H,2-3H2,1H3,(H,13,15)(H,14,16,17)
InChIKeyHYNFGUHAYZBBCE-UHFFFAOYSA-N
XLogP1.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
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 N-(1,3-dioxoisoindol-5-yl)butanamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)butanamide (CID 7157941) is N-(1,3-dioxoisoindol-5-yl)butanamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)butanamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)butanamide is CCCC(=O)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)butanamide?
The InChIKey is HYNFGUHAYZBBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-3-10(15)13-7-4-5-8-9(6-7)12(17)14-11(8)16/h4-6H,2-3H2,1H3,(H,13,15)(H,14,16,17).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)butanamide?
N-(1,3-dioxoisoindol-5-yl)butanamide has a molecular weight of 232.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)butanamide is sourced from PubChem (CID 7157941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).