6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide

C14H19N3O5 — CID 59481909

IUPAC6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide
SMILESCCC(=O)NC(CCCCN1C(=O)C=CC1=O)C(=O)NC=O
InChIInChI=1S/C14H19N3O5/c1-2-11(19)16-10(14(22)15-9-18)5-3-4-8-17-12(20)6-7-13(17)21/h6-7,9-10H,2-5,8H2,1H3,(H,16,19)(H,15,18,22)
InChIKeyAJOCPHSVZUXQGM-UHFFFAOYSA-N
MW309.32 g/mol
LogP-0.75
Rot. Bonds9

About 6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide

6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide (PubChem CID 59481909) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide
PubChem CID59481909
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide
SMILESCCC(=O)NC(CCCCN1C(=O)C=CC1=O)C(=O)NC=O
InChIInChI=1S/C14H19N3O5/c1-2-11(19)16-10(14(22)15-9-18)5-3-4-8-17-12(20)6-7-13(17)21/h6-7,9-10H,2-5,8H2,1H3,(H,16,19)(H,15,18,22)
InChIKeyAJOCPHSVZUXQGM-UHFFFAOYSA-N
XLogP-0.75
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide (CID 59481909) is 6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide is CCC(=O)NC(CCCCN1C(=O)C=CC1=O)C(=O)NC=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide?
The InChIKey is AJOCPHSVZUXQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-2-11(19)16-10(14(22)15-9-18)5-3-4-8-17-12(20)6-7-13(17)21/h6-7,9-10H,2-5,8H2,1H3,(H,16,19)(H,15,18,22).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide?
6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide has a molecular weight of 309.32 g/mol, XLogP of -0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-N-formyl-2-(propanoylamino)hexanamide is sourced from PubChem (CID 59481909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).