5-(2-oxo-3-propan-2-ylimidazol-1-yl)pentanehydrazide

C11H20N4O2 — CID 80582771

IUPAC5-(2-oxo-3-propan-2-ylimidazol-1-yl)pentanehydrazide
SMILESCC(C)n1ccn(CCCCC(=O)NN)c1=O
InChIInChI=1S/C11H20N4O2/c1-9(2)15-8-7-14(11(15)17)6-4-3-5-10(16)13-12/h7-9H,3-6,12H2,1-2H3,(H,13,16)
InChIKeyFIHYDHWDGSDMKB-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.39
Rot. Bonds6

About 5-(2-oxo-3-propan-2-ylimidazol-1-yl)pentanehydrazide

5-(2-oxo-3-propan-2-ylimidazol-1-yl)pentanehydrazide (PubChem CID 80582771) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(2-oxo-3-propan-2-ylimidazol-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(2-oxo-3-propan-2-ylimidazol-1-yl)pentanehydrazide
PubChem CID80582771
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name5-(2-oxo-3-propan-2-ylimidazol-1-yl)pentanehydrazide
SMILESCC(C)n1ccn(CCCCC(=O)NN)c1=O
InChIInChI=1S/C11H20N4O2/c1-9(2)15-8-7-14(11(15)17)6-4-3-5-10(16)13-12/h7-9H,3-6,12H2,1-2H3,(H,13,16)
InChIKeyFIHYDHWDGSDMKB-UHFFFAOYSA-N
XLogP0.39
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.39
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 5-(2-oxo-3-propan-2-ylimidazol-1-yl)pentanehydrazide?
The IUPAC name of 5-(2-oxo-3-propan-2-ylimidazol-1-yl)pentanehydrazide (CID 80582771) is 5-(2-oxo-3-propan-2-ylimidazol-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(2-oxo-3-propan-2-ylimidazol-1-yl)pentanehydrazide?
The canonical SMILES for 5-(2-oxo-3-propan-2-ylimidazol-1-yl)pentanehydrazide is CC(C)n1ccn(CCCCC(=O)NN)c1=O.
What is the InChIKey of 5-(2-oxo-3-propan-2-ylimidazol-1-yl)pentanehydrazide?
The InChIKey is FIHYDHWDGSDMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-9(2)15-8-7-14(11(15)17)6-4-3-5-10(16)13-12/h7-9H,3-6,12H2,1-2H3,(H,13,16).
What are the key properties of 5-(2-oxo-3-propan-2-ylimidazol-1-yl)pentanehydrazide?
5-(2-oxo-3-propan-2-ylimidazol-1-yl)pentanehydrazide has a molecular weight of 240.31 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-3-propan-2-ylimidazol-1-yl)pentanehydrazide is sourced from PubChem (CID 80582771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).