1-ethanimidoylpiperidin-4-one

C7H12N2O — CID 59020734

IUPAC1-ethanimidoylpiperidin-4-one
SMILES[H]/N=C(\C)N1CCC(=O)CC1
InChIInChI=1S/C7H12N2O/c1-6(8)9-4-2-7(10)3-5-9/h8H,2-5H2,1H3/b8-6+
InChIKeyMJDSLQBHYQDYOO-SOFGYWHQSA-N
MW140.19 g/mol
LogP0.65
Rot. Bonds

About 1-ethanimidoylpiperidin-4-one

1-ethanimidoylpiperidin-4-one (PubChem CID 59020734) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-ethanimidoylpiperidin-4-one.

Molecular Properties

Compound Name1-ethanimidoylpiperidin-4-one
PubChem CID59020734
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-ethanimidoylpiperidin-4-one
SMILES[H]/N=C(\C)N1CCC(=O)CC1
InChIInChI=1S/C7H12N2O/c1-6(8)9-4-2-7(10)3-5-9/h8H,2-5H2,1H3/b8-6+
InChIKeyMJDSLQBHYQDYOO-SOFGYWHQSA-N
XLogP0.65
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
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 1-ethanimidoylpiperidin-4-one?
The IUPAC name of 1-ethanimidoylpiperidin-4-one (CID 59020734) is 1-ethanimidoylpiperidin-4-one.
What is the SMILES notation for 1-ethanimidoylpiperidin-4-one?
The canonical SMILES for 1-ethanimidoylpiperidin-4-one is [H]/N=C(\C)N1CCC(=O)CC1.
What is the InChIKey of 1-ethanimidoylpiperidin-4-one?
The InChIKey is MJDSLQBHYQDYOO-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(8)9-4-2-7(10)3-5-9/h8H,2-5H2,1H3/b8-6+.
What are the key properties of 1-ethanimidoylpiperidin-4-one?
1-ethanimidoylpiperidin-4-one has a molecular weight of 140.19 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethanimidoylpiperidin-4-one is sourced from PubChem (CID 59020734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).