3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanehydrazide

C9H16N4O2 — CID 80582748

IUPAC3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanehydrazide
SMILESCC(C)n1ccn(CCC(=O)NN)c1=O
InChIInChI=1S/C9H16N4O2/c1-7(2)13-6-5-12(9(13)15)4-3-8(14)11-10/h5-7H,3-4,10H2,1-2H3,(H,11,14)
InChIKeyXAXRPCKHSUDCEB-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.39
Rot. Bonds4

About 3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanehydrazide

3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanehydrazide (PubChem CID 80582748) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanehydrazide
PubChem CID80582748
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanehydrazide
SMILESCC(C)n1ccn(CCC(=O)NN)c1=O
InChIInChI=1S/C9H16N4O2/c1-7(2)13-6-5-12(9(13)15)4-3-8(14)11-10/h5-7H,3-4,10H2,1-2H3,(H,11,14)
InChIKeyXAXRPCKHSUDCEB-UHFFFAOYSA-N
XLogP-0.39
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.39
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 3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanehydrazide?
The IUPAC name of 3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanehydrazide (CID 80582748) is 3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanehydrazide.
What is the SMILES notation for 3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanehydrazide?
The canonical SMILES for 3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanehydrazide is CC(C)n1ccn(CCC(=O)NN)c1=O.
What is the InChIKey of 3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanehydrazide?
The InChIKey is XAXRPCKHSUDCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-7(2)13-6-5-12(9(13)15)4-3-8(14)11-10/h5-7H,3-4,10H2,1-2H3,(H,11,14).
What are the key properties of 3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanehydrazide?
3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanehydrazide has a molecular weight of 212.25 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanehydrazide is sourced from PubChem (CID 80582748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).