5-methylidenepiperazin-2-one

C5H8N2O — CID 89082930

IUPAC5-methylidenepiperazin-2-one
SMILESC=C1CNC(=O)CN1
InChIInChI=1S/C5H8N2O/c1-4-2-7-5(8)3-6-4/h6H,1-3H2,(H,7,8)
InChIKeyCOPTYEDROZAPTQ-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.78
Rot. Bonds

About 5-methylidenepiperazin-2-one

5-methylidenepiperazin-2-one (PubChem CID 89082930) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-methylidenepiperazin-2-one.

Molecular Properties

Compound Name5-methylidenepiperazin-2-one
PubChem CID89082930
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name5-methylidenepiperazin-2-one
SMILESC=C1CNC(=O)CN1
InChIInChI=1S/C5H8N2O/c1-4-2-7-5(8)3-6-4/h6H,1-3H2,(H,7,8)
InChIKeyCOPTYEDROZAPTQ-UHFFFAOYSA-N
XLogP-0.78
TPSA41.13 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 ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylidenepiperazin-2-one?
The IUPAC name of 5-methylidenepiperazin-2-one (CID 89082930) is 5-methylidenepiperazin-2-one.
What is the SMILES notation for 5-methylidenepiperazin-2-one?
The canonical SMILES for 5-methylidenepiperazin-2-one is C=C1CNC(=O)CN1.
What is the InChIKey of 5-methylidenepiperazin-2-one?
The InChIKey is COPTYEDROZAPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-2-7-5(8)3-6-4/h6H,1-3H2,(H,7,8).
What are the key properties of 5-methylidenepiperazin-2-one?
5-methylidenepiperazin-2-one has a molecular weight of 112.13 g/mol, XLogP of -0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenepiperazin-2-one is sourced from PubChem (CID 89082930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).