4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide

C10H13FN2O3 — CID 20659749

IUPAC4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide
SMILESO=C(CCCN1C(=O)C=CC1=O)NCCF
InChIInChI=1S/C10H13FN2O3/c11-5-6-12-8(14)2-1-7-13-9(15)3-4-10(13)16/h3-4H,1-2,5-7H2,(H,12,14)
InChIKeyIQSMCIGAVFPWMC-UHFFFAOYSA-N
MW228.22 g/mol
LogP-0.22
Rot. Bonds6

About 4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide

4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide (PubChem CID 20659749) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide
PubChem CID20659749
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide
SMILESO=C(CCCN1C(=O)C=CC1=O)NCCF
InChIInChI=1S/C10H13FN2O3/c11-5-6-12-8(14)2-1-7-13-9(15)3-4-10(13)16/h3-4H,1-2,5-7H2,(H,12,14)
InChIKeyIQSMCIGAVFPWMC-UHFFFAOYSA-N
XLogP-0.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-0.22
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

1H-Pyrrole-2,5-dione, 1-(5-aminopentyl)-
CID 10749944
Maleimidoethylacetamide
CID 17867096
N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-2,2,2-trifluoroacetamide
CID 59427099
N-[3-(2,5-dioxopyrrol-1-yl)propyl]-2,2,2-trifluoroacetamide
CID 59511121
N-[4-(2,5-dioxopyrrol-1-yl)butyl]-2,2,2-trifluoroacetamide
CID 118965616
N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]carbamoyl fluoride
CID 144854244
1-[3-(Ethylamino)propyl]pyrrole-2,5-dione
CID 12858660
N-ethylethanamine;1-propylpyrrole-2,5-dione
CID 20531811
1-[3-(Methylamino)propyl]pyrrole-2,5-dione
CID 20666020
5-(2,5-dioxopyrrol-1-yl)-N-methylpentanamide
CID 20760750
3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
CID 21299486
3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
CID 21299489

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide (CID 20659749) is 4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide is O=C(CCCN1C(=O)C=CC1=O)NCCF.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide?
The InChIKey is IQSMCIGAVFPWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c11-5-6-12-8(14)2-1-7-13-9(15)3-4-10(13)16/h3-4H,1-2,5-7H2,(H,12,14).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide?
4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide has a molecular weight of 228.22 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-N-(2-fluoroethyl)butanamide is sourced from PubChem (CID 20659749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).