6-(3-ethyl-2-oxoimidazol-1-yl)hexanehydrazide

C11H20N4O2 — CID 80582835

IUPAC6-(3-ethyl-2-oxoimidazol-1-yl)hexanehydrazide
SMILESCCn1ccn(CCCCCC(=O)NN)c1=O
InChIInChI=1S/C11H20N4O2/c1-2-14-8-9-15(11(14)17)7-5-3-4-6-10(16)13-12/h8-9H,2-7,12H2,1H3,(H,13,16)
InChIKeySRJKGFVIUNHGJE-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.22
Rot. Bonds7

About 6-(3-ethyl-2-oxoimidazol-1-yl)hexanehydrazide

6-(3-ethyl-2-oxoimidazol-1-yl)hexanehydrazide (PubChem CID 80582835) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-(3-ethyl-2-oxoimidazol-1-yl)hexanehydrazide.

Molecular Properties

Compound Name6-(3-ethyl-2-oxoimidazol-1-yl)hexanehydrazide
PubChem CID80582835
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name6-(3-ethyl-2-oxoimidazol-1-yl)hexanehydrazide
SMILESCCn1ccn(CCCCCC(=O)NN)c1=O
InChIInChI=1S/C11H20N4O2/c1-2-14-8-9-15(11(14)17)7-5-3-4-6-10(16)13-12/h8-9H,2-7,12H2,1H3,(H,13,16)
InChIKeySRJKGFVIUNHGJE-UHFFFAOYSA-N
XLogP0.22
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-2-oxoimidazol-1-yl)hexanehydrazide?
The IUPAC name of 6-(3-ethyl-2-oxoimidazol-1-yl)hexanehydrazide (CID 80582835) is 6-(3-ethyl-2-oxoimidazol-1-yl)hexanehydrazide.
What is the SMILES notation for 6-(3-ethyl-2-oxoimidazol-1-yl)hexanehydrazide?
The canonical SMILES for 6-(3-ethyl-2-oxoimidazol-1-yl)hexanehydrazide is CCn1ccn(CCCCCC(=O)NN)c1=O.
What is the InChIKey of 6-(3-ethyl-2-oxoimidazol-1-yl)hexanehydrazide?
The InChIKey is SRJKGFVIUNHGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-14-8-9-15(11(14)17)7-5-3-4-6-10(16)13-12/h8-9H,2-7,12H2,1H3,(H,13,16).
What are the key properties of 6-(3-ethyl-2-oxoimidazol-1-yl)hexanehydrazide?
6-(3-ethyl-2-oxoimidazol-1-yl)hexanehydrazide has a molecular weight of 240.31 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-2-oxoimidazol-1-yl)hexanehydrazide is sourced from PubChem (CID 80582835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).