1,3,4-trimethyl-6-methylidenepiperazine-2,5-dione

C8H12N2O2 — CID 10899077

IUPAC1,3,4-trimethyl-6-methylidenepiperazine-2,5-dione
SMILESC=C1C(=O)N(C)C(C)C(=O)N1C
InChIInChI=1S/C8H12N2O2/c1-5-7(11)10(4)6(2)8(12)9(5)3/h6H,1H2,2-4H3
InChIKeyVMUIRRXYWPBCNN-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.18
Rot. Bonds

About 1,3,4-trimethyl-6-methylidenepiperazine-2,5-dione

1,3,4-trimethyl-6-methylidenepiperazine-2,5-dione (PubChem CID 10899077) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1,3,4-trimethyl-6-methylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name1,3,4-trimethyl-6-methylidenepiperazine-2,5-dione
PubChem CID10899077
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1,3,4-trimethyl-6-methylidenepiperazine-2,5-dione
SMILESC=C1C(=O)N(C)C(C)C(=O)N1C
InChIInChI=1S/C8H12N2O2/c1-5-7(11)10(4)6(2)8(12)9(5)3/h6H,1H2,2-4H3
InChIKeyVMUIRRXYWPBCNN-UHFFFAOYSA-N
XLogP-0.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
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 1,3,4-trimethyl-6-methylidenepiperazine-2,5-dione?
The IUPAC name of 1,3,4-trimethyl-6-methylidenepiperazine-2,5-dione (CID 10899077) is 1,3,4-trimethyl-6-methylidenepiperazine-2,5-dione.
What is the SMILES notation for 1,3,4-trimethyl-6-methylidenepiperazine-2,5-dione?
The canonical SMILES for 1,3,4-trimethyl-6-methylidenepiperazine-2,5-dione is C=C1C(=O)N(C)C(C)C(=O)N1C.
What is the InChIKey of 1,3,4-trimethyl-6-methylidenepiperazine-2,5-dione?
The InChIKey is VMUIRRXYWPBCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-7(11)10(4)6(2)8(12)9(5)3/h6H,1H2,2-4H3.
What are the key properties of 1,3,4-trimethyl-6-methylidenepiperazine-2,5-dione?
1,3,4-trimethyl-6-methylidenepiperazine-2,5-dione has a molecular weight of 168.20 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-6-methylidenepiperazine-2,5-dione is sourced from PubChem (CID 10899077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).