4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide

C10H18N4O2 — CID 80582933

IUPAC4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide
SMILESCC(C)n1ccn(CCCC(=O)NN)c1=O
InChIInChI=1S/C10H18N4O2/c1-8(2)14-7-6-13(10(14)16)5-3-4-9(15)12-11/h6-8H,3-5,11H2,1-2H3,(H,12,15)
InChIKeyLGHKLSWZFHIMOF-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.00
Rot. Bonds5

About 4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide

4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide (PubChem CID 80582933) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide
PubChem CID80582933
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide
SMILESCC(C)n1ccn(CCCC(=O)NN)c1=O
InChIInChI=1S/C10H18N4O2/c1-8(2)14-7-6-13(10(14)16)5-3-4-9(15)12-11/h6-8H,3-5,11H2,1-2H3,(H,12,15)
InChIKeyLGHKLSWZFHIMOF-UHFFFAOYSA-N
XLogP0.00
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide?
The IUPAC name of 4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide (CID 80582933) is 4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide.
What is the SMILES notation for 4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide?
The canonical SMILES for 4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide is CC(C)n1ccn(CCCC(=O)NN)c1=O.
What is the InChIKey of 4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide?
The InChIKey is LGHKLSWZFHIMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8(2)14-7-6-13(10(14)16)5-3-4-9(15)12-11/h6-8H,3-5,11H2,1-2H3,(H,12,15).
What are the key properties of 4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide?
4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide has a molecular weight of 226.28 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide is sourced from PubChem (CID 80582933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).