1-methyl-4-(2-methylbut-3-en-2-yl)piperazine-2,6-dione

C10H16N2O2 — CID 146221321

IUPAC1-methyl-4-(2-methylbut-3-en-2-yl)piperazine-2,6-dione
SMILESC=CC(C)(C)N1CC(=O)N(C)C(=O)C1
InChIInChI=1S/C10H16N2O2/c1-5-10(2,3)12-6-8(13)11(4)9(14)7-12/h5H,1,6-7H2,2-4H3
InChIKeyDIJYQQHXNOFVFG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.25
Rot. Bonds2

About 1-methyl-4-(2-methylbut-3-en-2-yl)piperazine-2,6-dione

1-methyl-4-(2-methylbut-3-en-2-yl)piperazine-2,6-dione (PubChem CID 146221321) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-methyl-4-(2-methylbut-3-en-2-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name1-methyl-4-(2-methylbut-3-en-2-yl)piperazine-2,6-dione
PubChem CID146221321
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-methyl-4-(2-methylbut-3-en-2-yl)piperazine-2,6-dione
SMILESC=CC(C)(C)N1CC(=O)N(C)C(=O)C1
InChIInChI=1S/C10H16N2O2/c1-5-10(2,3)12-6-8(13)11(4)9(14)7-12/h5H,1,6-7H2,2-4H3
InChIKeyDIJYQQHXNOFVFG-UHFFFAOYSA-N
XLogP0.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylbut-3-en-2-yl)piperazine-2,6-dione?
The IUPAC name of 1-methyl-4-(2-methylbut-3-en-2-yl)piperazine-2,6-dione (CID 146221321) is 1-methyl-4-(2-methylbut-3-en-2-yl)piperazine-2,6-dione.
What is the SMILES notation for 1-methyl-4-(2-methylbut-3-en-2-yl)piperazine-2,6-dione?
The canonical SMILES for 1-methyl-4-(2-methylbut-3-en-2-yl)piperazine-2,6-dione is C=CC(C)(C)N1CC(=O)N(C)C(=O)C1.
What is the InChIKey of 1-methyl-4-(2-methylbut-3-en-2-yl)piperazine-2,6-dione?
The InChIKey is DIJYQQHXNOFVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-10(2,3)12-6-8(13)11(4)9(14)7-12/h5H,1,6-7H2,2-4H3.
What are the key properties of 1-methyl-4-(2-methylbut-3-en-2-yl)piperazine-2,6-dione?
1-methyl-4-(2-methylbut-3-en-2-yl)piperazine-2,6-dione has a molecular weight of 196.25 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylbut-3-en-2-yl)piperazine-2,6-dione is sourced from PubChem (CID 146221321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).