5-iminopiperidin-2-one

C5H8N2O — CID 70227399

IUPAC5-iminopiperidin-2-one
SMILES[H]/N=C1\CCC(=O)NC1
InChIInChI=1S/C5H8N2O/c6-4-1-2-5(8)7-3-4/h6H,1-3H2,(H,7,8)/b6-4+
InChIKeyTZFYJEOPQBLANB-GQCTYLIASA-N
MW112.13 g/mol
LogP-0.08
Rot. Bonds

About 5-iminopiperidin-2-one

5-iminopiperidin-2-one (PubChem CID 70227399) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-iminopiperidin-2-one.

Molecular Properties

Compound Name5-iminopiperidin-2-one
PubChem CID70227399
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name5-iminopiperidin-2-one
SMILES[H]/N=C1\CCC(=O)NC1
InChIInChI=1S/C5H8N2O/c6-4-1-2-5(8)7-3-4/h6H,1-3H2,(H,7,8)/b6-4+
InChIKeyTZFYJEOPQBLANB-GQCTYLIASA-N
XLogP-0.08
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iminopiperidin-2-one?
The IUPAC name of 5-iminopiperidin-2-one (CID 70227399) is 5-iminopiperidin-2-one.
What is the SMILES notation for 5-iminopiperidin-2-one?
The canonical SMILES for 5-iminopiperidin-2-one is [H]/N=C1\CCC(=O)NC1.
What is the InChIKey of 5-iminopiperidin-2-one?
The InChIKey is TZFYJEOPQBLANB-GQCTYLIASA-N. The full InChI is InChI=1S/C5H8N2O/c6-4-1-2-5(8)7-3-4/h6H,1-3H2,(H,7,8)/b6-4+.
What are the key properties of 5-iminopiperidin-2-one?
5-iminopiperidin-2-one has a molecular weight of 112.13 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iminopiperidin-2-one is sourced from PubChem (CID 70227399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).