1-(2-iminoethanimidoyl)piperidin-4-one

C7H11N3O — CID 170743491

IUPAC1-(2-iminoethanimidoyl)piperidin-4-one
SMILES[H]/N=C/C(=N\[H])N1CCC(=O)CC1
InChIInChI=1S/C7H11N3O/c8-5-7(9)10-3-1-6(11)2-4-10/h5,8-9H,1-4H2/b8-5+,9-7+
InChIKeyJOBYMKFCPROCFX-OCIXRKKMSA-N
MW153.19 g/mol
LogP0.28
Rot. Bonds1

About 1-(2-iminoethanimidoyl)piperidin-4-one

1-(2-iminoethanimidoyl)piperidin-4-one (PubChem CID 170743491) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-(2-iminoethanimidoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-iminoethanimidoyl)piperidin-4-one
PubChem CID170743491
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1-(2-iminoethanimidoyl)piperidin-4-one
SMILES[H]/N=C/C(=N\[H])N1CCC(=O)CC1
InChIInChI=1S/C7H11N3O/c8-5-7(9)10-3-1-6(11)2-4-10/h5,8-9H,1-4H2/b8-5+,9-7+
InChIKeyJOBYMKFCPROCFX-OCIXRKKMSA-N
XLogP0.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-iminoethanimidoyl)piperidin-4-one?
The IUPAC name of 1-(2-iminoethanimidoyl)piperidin-4-one (CID 170743491) is 1-(2-iminoethanimidoyl)piperidin-4-one.
What is the SMILES notation for 1-(2-iminoethanimidoyl)piperidin-4-one?
The canonical SMILES for 1-(2-iminoethanimidoyl)piperidin-4-one is [H]/N=C/C(=N\[H])N1CCC(=O)CC1.
What is the InChIKey of 1-(2-iminoethanimidoyl)piperidin-4-one?
The InChIKey is JOBYMKFCPROCFX-OCIXRKKMSA-N. The full InChI is InChI=1S/C7H11N3O/c8-5-7(9)10-3-1-6(11)2-4-10/h5,8-9H,1-4H2/b8-5+,9-7+.
What are the key properties of 1-(2-iminoethanimidoyl)piperidin-4-one?
1-(2-iminoethanimidoyl)piperidin-4-one has a molecular weight of 153.19 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iminoethanimidoyl)piperidin-4-one is sourced from PubChem (CID 170743491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).