3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide

C10H14N2O3 — CID 54593838

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3/c1-2-6-11-8(13)5-7-12-9(14)3-4-10(12)15/h3-4H,2,5-7H2,1H3,(H,11,13)
InChIKeyOLHOMIBJLGPOAE-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.17
Rot. Bonds5

About 3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide

3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide (PubChem CID 54593838) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide
PubChem CID54593838
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3/c1-2-6-11-8(13)5-7-12-9(14)3-4-10(12)15/h3-4H,2,5-7H2,1H3,(H,11,13)
InChIKeyOLHOMIBJLGPOAE-UHFFFAOYSA-N
XLogP-0.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
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 3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide (CID 54593838) is 3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide is CCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide?
The InChIKey is OLHOMIBJLGPOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-6-11-8(13)5-7-12-9(14)3-4-10(12)15/h3-4H,2,5-7H2,1H3,(H,11,13).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide?
3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide has a molecular weight of 210.23 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide is sourced from PubChem (CID 54593838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).