6-(2,5-dioxopyrrol-1-yl)hexanehydrazide

C10H15N3O3 — CID 4170354

IUPAC6-(2,5-dioxopyrrol-1-yl)hexanehydrazide
SMILESNNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H15N3O3/c11-12-8(14)4-2-1-3-7-13-9(15)5-6-10(13)16/h5-6H,1-4,7,11H2,(H,12,14)
InChIKeyFYWVFGAAKATOHN-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.54
Rot. Bonds6

About 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide

6-(2,5-dioxopyrrol-1-yl)hexanehydrazide (PubChem CID 4170354) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexanehydrazide
PubChem CID4170354
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexanehydrazide
SMILESNNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H15N3O3/c11-12-8(14)4-2-1-3-7-13-9(15)5-6-10(13)16/h5-6H,1-4,7,11H2,(H,12,14)
InChIKeyFYWVFGAAKATOHN-UHFFFAOYSA-N
XLogP-0.54
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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': '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 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide (CID 4170354) is 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide is NNC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide?
The InChIKey is FYWVFGAAKATOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c11-12-8(14)4-2-1-3-7-13-9(15)5-6-10(13)16/h5-6H,1-4,7,11H2,(H,12,14).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide?
6-(2,5-dioxopyrrol-1-yl)hexanehydrazide has a molecular weight of 225.25 g/mol, XLogP of -0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)hexanehydrazide is sourced from PubChem (CID 4170354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).