1,4-dimethyl-3-prop-2-enylpiperazine-2,5-dione

C9H14N2O2 — CID 11401152

IUPAC1,4-dimethyl-3-prop-2-enylpiperazine-2,5-dione
SMILESC=CCC1C(=O)N(C)CC(=O)N1C
InChIInChI=1S/C9H14N2O2/c1-4-5-7-9(13)10(2)6-8(12)11(7)3/h4,7H,1,5-6H2,2-3H3
InChIKeyQSKJKGKJVFHFDK-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.14
Rot. Bonds2

About 1,4-dimethyl-3-prop-2-enylpiperazine-2,5-dione

1,4-dimethyl-3-prop-2-enylpiperazine-2,5-dione (PubChem CID 11401152) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1,4-dimethyl-3-prop-2-enylpiperazine-2,5-dione.

Molecular Properties

Compound Name1,4-dimethyl-3-prop-2-enylpiperazine-2,5-dione
PubChem CID11401152
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1,4-dimethyl-3-prop-2-enylpiperazine-2,5-dione
SMILESC=CCC1C(=O)N(C)CC(=O)N1C
InChIInChI=1S/C9H14N2O2/c1-4-5-7-9(13)10(2)6-8(12)11(7)3/h4,7H,1,5-6H2,2-3H3
InChIKeyQSKJKGKJVFHFDK-UHFFFAOYSA-N
XLogP-0.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-prop-2-enylpiperazine-2,5-dione?
The IUPAC name of 1,4-dimethyl-3-prop-2-enylpiperazine-2,5-dione (CID 11401152) is 1,4-dimethyl-3-prop-2-enylpiperazine-2,5-dione.
What is the SMILES notation for 1,4-dimethyl-3-prop-2-enylpiperazine-2,5-dione?
The canonical SMILES for 1,4-dimethyl-3-prop-2-enylpiperazine-2,5-dione is C=CCC1C(=O)N(C)CC(=O)N1C.
What is the InChIKey of 1,4-dimethyl-3-prop-2-enylpiperazine-2,5-dione?
The InChIKey is QSKJKGKJVFHFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-5-7-9(13)10(2)6-8(12)11(7)3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 1,4-dimethyl-3-prop-2-enylpiperazine-2,5-dione?
1,4-dimethyl-3-prop-2-enylpiperazine-2,5-dione has a molecular weight of 182.22 g/mol, XLogP of -0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-prop-2-enylpiperazine-2,5-dione is sourced from PubChem (CID 11401152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).