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

C12H18N2O3 — CID 22961655

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N2O3/c1-2-3-4-8-13-10(15)7-9-14-11(16)5-6-12(14)17/h5-6H,2-4,7-9H2,1H3,(H,13,15)
InChIKeyOBJGPESIPZDFPU-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.61
Rot. Bonds7

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

3-(2,5-dioxopyrrol-1-yl)-N-pentylpropanamide (PubChem CID 22961655) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-pentylpropanamide
PubChem CID22961655
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N2O3/c1-2-3-4-8-13-10(15)7-9-14-11(16)5-6-12(14)17/h5-6H,2-4,7-9H2,1H3,(H,13,15)
InChIKeyOBJGPESIPZDFPU-UHFFFAOYSA-N
XLogP0.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-aminopentyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 23354886
1-(6-aminohexyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 23054408
1H-Pyrrole-2,5-dione, 1-(5-aminopentyl)-
CID 10749944
1-(6-aminohexyl)-1H-pyrrole-2,5-dione
CID 23054403
Mal-Alkyne
CID 10149082
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamide
CID 43553619
Maleimide-(CH2)5-CONH-CH2CH2NH2
CID 85794122
1-(Piperidin-4-YL)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 20566478
(E)-N'-hexylbut-2-enediamide
CID 170849793
(E)-N,N'-dibutylbut-2-enediamide
CID 5775050
(E)-N,N'-dihexylbut-2-enediamide
CID 139188307
N,N'-dibutylbut-2-enediamide
CID 315713

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-pentylpropanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-pentylpropanamide (CID 22961655) is 3-(2,5-dioxopyrrol-1-yl)-N-pentylpropanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-pentylpropanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-pentylpropanamide is CCCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-pentylpropanamide?
The InChIKey is OBJGPESIPZDFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-3-4-8-13-10(15)7-9-14-11(16)5-6-12(14)17/h5-6H,2-4,7-9H2,1H3,(H,13,15).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-pentylpropanamide?
3-(2,5-dioxopyrrol-1-yl)-N-pentylpropanamide has a molecular weight of 238.29 g/mol, XLogP of 0.61, 7 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-pentylpropanamide is sourced from PubChem (CID 22961655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).