4-oxohexanimidamide

C6H12N2O — CID 140992385

IUPAC4-oxohexanimidamide
SMILES[H]/N=C(\N)CCC(=O)CC
InChIInChI=1S/C6H12N2O/c1-2-5(9)3-4-6(7)8/h2-4H2,1H3,(H3,7,8)
InChIKeyGZOKNKRHJJRJDG-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.68
Rot. Bonds4

About 4-oxohexanimidamide

4-oxohexanimidamide (PubChem CID 140992385) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-oxohexanimidamide.

Molecular Properties

Compound Name4-oxohexanimidamide
PubChem CID140992385
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name4-oxohexanimidamide
SMILES[H]/N=C(\N)CCC(=O)CC
InChIInChI=1S/C6H12N2O/c1-2-5(9)3-4-6(7)8/h2-4H2,1H3,(H3,7,8)
InChIKeyGZOKNKRHJJRJDG-UHFFFAOYSA-N
XLogP0.68
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxohexanimidamide?
The IUPAC name of 4-oxohexanimidamide (CID 140992385) is 4-oxohexanimidamide.
What is the SMILES notation for 4-oxohexanimidamide?
The canonical SMILES for 4-oxohexanimidamide is [H]/N=C(\N)CCC(=O)CC.
What is the InChIKey of 4-oxohexanimidamide?
The InChIKey is GZOKNKRHJJRJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-5(9)3-4-6(7)8/h2-4H2,1H3,(H3,7,8).
What are the key properties of 4-oxohexanimidamide?
4-oxohexanimidamide has a molecular weight of 128.17 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxohexanimidamide is sourced from PubChem (CID 140992385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).