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

C10H15N3O3 — CID 67128129

IUPAC2-(2,5-dioxopyrrol-1-yl)hexanehydrazide
SMILESCCCCC(C(=O)NN)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15N3O3/c1-2-3-4-7(10(16)12-11)13-8(14)5-6-9(13)15/h5-7H,2-4,11H2,1H3,(H,12,16)
InChIKeyFQURTFVEYMLEKU-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.54
Rot. Bonds5

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

2-(2,5-dioxopyrrol-1-yl)hexanehydrazide (PubChem CID 67128129) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)hexanehydrazide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)hexanehydrazide
PubChem CID67128129
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(2,5-dioxopyrrol-1-yl)hexanehydrazide
SMILESCCCCC(C(=O)NN)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15N3O3/c1-2-3-4-7(10(16)12-11)13-8(14)5-6-9(13)15/h5-7H,2-4,11H2,1H3,(H,12,16)
InChIKeyFQURTFVEYMLEKU-UHFFFAOYSA-N
XLogP-0.54
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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)hexanehydrazide?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)hexanehydrazide (CID 67128129) is 2-(2,5-dioxopyrrol-1-yl)hexanehydrazide.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)hexanehydrazide?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)hexanehydrazide is CCCCC(C(=O)NN)N1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)hexanehydrazide?
The InChIKey is FQURTFVEYMLEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-3-4-7(10(16)12-11)13-8(14)5-6-9(13)15/h5-7H,2-4,11H2,1H3,(H,12,16).
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)hexanehydrazide?
2-(2,5-dioxopyrrol-1-yl)hexanehydrazide has a molecular weight of 225.25 g/mol, XLogP of -0.54, 5 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)hexanehydrazide is sourced from PubChem (CID 67128129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).