1-acetyl-4-methyl-3-methylidenepiperazine-2,5-dione

C8H10N2O3 — CID 15326349

IUPAC1-acetyl-4-methyl-3-methylidenepiperazine-2,5-dione
SMILESC=C1C(=O)N(C(C)=O)CC(=O)N1C
InChIInChI=1S/C8H10N2O3/c1-5-8(13)10(6(2)11)4-7(12)9(5)3/h1,4H2,2-3H3
InChIKeyCHZNHVZVVARKEC-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.65
Rot. Bonds

About 1-acetyl-4-methyl-3-methylidenepiperazine-2,5-dione

1-acetyl-4-methyl-3-methylidenepiperazine-2,5-dione (PubChem CID 15326349) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-acetyl-4-methyl-3-methylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name1-acetyl-4-methyl-3-methylidenepiperazine-2,5-dione
PubChem CID15326349
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1-acetyl-4-methyl-3-methylidenepiperazine-2,5-dione
SMILESC=C1C(=O)N(C(C)=O)CC(=O)N1C
InChIInChI=1S/C8H10N2O3/c1-5-8(13)10(6(2)11)4-7(12)9(5)3/h1,4H2,2-3H3
InChIKeyCHZNHVZVVARKEC-UHFFFAOYSA-N
XLogP-0.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-acetyl-4-methyl-3-methylidenepiperazine-2,5-dione?
The IUPAC name of 1-acetyl-4-methyl-3-methylidenepiperazine-2,5-dione (CID 15326349) is 1-acetyl-4-methyl-3-methylidenepiperazine-2,5-dione.
What is the SMILES notation for 1-acetyl-4-methyl-3-methylidenepiperazine-2,5-dione?
The canonical SMILES for 1-acetyl-4-methyl-3-methylidenepiperazine-2,5-dione is C=C1C(=O)N(C(C)=O)CC(=O)N1C.
What is the InChIKey of 1-acetyl-4-methyl-3-methylidenepiperazine-2,5-dione?
The InChIKey is CHZNHVZVVARKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-8(13)10(6(2)11)4-7(12)9(5)3/h1,4H2,2-3H3.
What are the key properties of 1-acetyl-4-methyl-3-methylidenepiperazine-2,5-dione?
1-acetyl-4-methyl-3-methylidenepiperazine-2,5-dione has a molecular weight of 182.18 g/mol, XLogP of -0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-methyl-3-methylidenepiperazine-2,5-dione is sourced from PubChem (CID 15326349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).