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

C10H14N2O3 — CID 58493176

IUPAC2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3/c1-3-6-11-10(15)7(2)12-8(13)4-5-9(12)14/h4-5,7H,3,6H2,1-2H3,(H,11,15)
InChIKeyFAOCGXKZRDSHMX-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.17
Rot. Bonds4

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

2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide (PubChem CID 58493176) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide
PubChem CID58493176
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O3/c1-3-6-11-10(15)7(2)12-8(13)4-5-9(12)14/h4-5,7H,3,6H2,1-2H3,(H,11,15)
InChIKeyFAOCGXKZRDSHMX-UHFFFAOYSA-N
XLogP-0.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

N,N'-propylenebisacrylamide
CID 14877244
N-acryloyl alaninamide
CID 22811246
2-(dimethyl maleimido)-N-ethyl-acrylamide
CID 89310859
N-Methyl propylaminomaleimide
CID 68150162
1-Butyl-3-(butylamino)-1H-pyrrole-2,5-dione
CID 4512565
1-(2-Aminopropyl)-2,5-dihydro-1h-pyrrol-2-one
CID 129741937
3-(Butylamino)-1-methylpyrrole-2,5-dione
CID 4512328
1-[3-(Ethylamino)propyl]pyrrole-2,5-dione
CID 12858660
2-(2,5-Dioxopyrrol-1-yl)propanamide
CID 18474177
2-(2,5-Dioxopyrrol-1-yl)hexanamide
CID 18474209
1-[2-(Ethylamino)acetyl]pyrrole-2,5-dione
CID 18967970
2-amino-N-prop-2-enoylpropanamide
CID 20334693

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide (CID 58493176) is 2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide is CCCNC(=O)C(C)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide?
The InChIKey is FAOCGXKZRDSHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-6-11-10(15)7(2)12-8(13)4-5-9(12)14/h4-5,7H,3,6H2,1-2H3,(H,11,15).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide?
2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide has a molecular weight of 210.23 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide is sourced from PubChem (CID 58493176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).