3-methyl-6-methylidenepiperazine-2,5-dione

C6H8N2O2 — CID 45117239

IUPAC3-methyl-6-methylidenepiperazine-2,5-dione
SMILESC=C1NC(=O)C(C)NC1=O
InChIInChI=1S/C6H8N2O2/c1-3-5(9)8-4(2)6(10)7-3/h4H,1H2,2H3,(H,7,10)(H,8,9)
InChIKeyOYLAVZXJZZIWMZ-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.87
Rot. Bonds

About 3-methyl-6-methylidenepiperazine-2,5-dione

3-methyl-6-methylidenepiperazine-2,5-dione (PubChem CID 45117239) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-methyl-6-methylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-6-methylidenepiperazine-2,5-dione
PubChem CID45117239
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-methyl-6-methylidenepiperazine-2,5-dione
SMILESC=C1NC(=O)C(C)NC1=O
InChIInChI=1S/C6H8N2O2/c1-3-5(9)8-4(2)6(10)7-3/h4H,1H2,2H3,(H,7,10)(H,8,9)
InChIKeyOYLAVZXJZZIWMZ-UHFFFAOYSA-N
XLogP-0.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylidenepiperazine-2,5-dione?
The IUPAC name of 3-methyl-6-methylidenepiperazine-2,5-dione (CID 45117239) is 3-methyl-6-methylidenepiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-6-methylidenepiperazine-2,5-dione?
The canonical SMILES for 3-methyl-6-methylidenepiperazine-2,5-dione is C=C1NC(=O)C(C)NC1=O.
What is the InChIKey of 3-methyl-6-methylidenepiperazine-2,5-dione?
The InChIKey is OYLAVZXJZZIWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-3-5(9)8-4(2)6(10)7-3/h4H,1H2,2H3,(H,7,10)(H,8,9).
What are the key properties of 3-methyl-6-methylidenepiperazine-2,5-dione?
3-methyl-6-methylidenepiperazine-2,5-dione has a molecular weight of 140.14 g/mol, XLogP of -0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylidenepiperazine-2,5-dione is sourced from PubChem (CID 45117239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).