2-(2,5-dioxopyrrol-1-yl)undecanehydrazide

C15H25N3O3 — CID 135220937

IUPAC2-(2,5-dioxopyrrol-1-yl)undecanehydrazide
SMILESCCCCCCCCCC(C(=O)NN)N1C(=O)C=CC1=O
InChIInChI=1S/C15H25N3O3/c1-2-3-4-5-6-7-8-9-12(15(21)17-16)18-13(19)10-11-14(18)20/h10-12H,2-9,16H2,1H3,(H,17,21)
InChIKeyUGCGBIYMRSWNSW-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.41
Rot. Bonds10

About 2-(2,5-dioxopyrrol-1-yl)undecanehydrazide

2-(2,5-dioxopyrrol-1-yl)undecanehydrazide (PubChem CID 135220937) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)undecanehydrazide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)undecanehydrazide
PubChem CID135220937
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-(2,5-dioxopyrrol-1-yl)undecanehydrazide
SMILESCCCCCCCCCC(C(=O)NN)N1C(=O)C=CC1=O
InChIInChI=1S/C15H25N3O3/c1-2-3-4-5-6-7-8-9-12(15(21)17-16)18-13(19)10-11-14(18)20/h10-12H,2-9,16H2,1H3,(H,17,21)
InChIKeyUGCGBIYMRSWNSW-UHFFFAOYSA-N
XLogP1.41
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)undecanehydrazide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)undecanehydrazide (CID 135220937) is 2-(2,5-dioxopyrrol-1-yl)undecanehydrazide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)undecanehydrazide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)undecanehydrazide is CCCCCCCCCC(C(=O)NN)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)undecanehydrazide?
The InChIKey is UGCGBIYMRSWNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-3-4-5-6-7-8-9-12(15(21)17-16)18-13(19)10-11-14(18)20/h10-12H,2-9,16H2,1H3,(H,17,21).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)undecanehydrazide?
2-(2,5-dioxopyrrol-1-yl)undecanehydrazide has a molecular weight of 295.38 g/mol, XLogP of 1.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)undecanehydrazide is sourced from PubChem (CID 135220937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).