1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione

C11H18N2O2 — CID 58550084

IUPAC1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione
SMILESC=CCCN1CCN(C(C)C)C(=O)C1=O
InChIInChI=1S/C11H18N2O2/c1-4-5-6-12-7-8-13(9(2)3)11(15)10(12)14/h4,9H,1,5-8H2,2-3H3
InChIKeyMHSYWIAMIIDLSA-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.64
Rot. Bonds4

About 1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione

1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione (PubChem CID 58550084) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione
PubChem CID58550084
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione
SMILESC=CCCN1CCN(C(C)C)C(=O)C1=O
InChIInChI=1S/C11H18N2O2/c1-4-5-6-12-7-8-13(9(2)3)11(15)10(12)14/h4,9H,1,5-8H2,2-3H3
InChIKeyMHSYWIAMIIDLSA-UHFFFAOYSA-N
XLogP0.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione?
The IUPAC name of 1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione (CID 58550084) is 1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione.
What is the SMILES notation for 1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione?
The canonical SMILES for 1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione is C=CCCN1CCN(C(C)C)C(=O)C1=O.
What is the InChIKey of 1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione?
The InChIKey is MHSYWIAMIIDLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-5-6-12-7-8-13(9(2)3)11(15)10(12)14/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione?
1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione has a molecular weight of 210.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-propan-2-ylpiperazine-2,3-dione is sourced from PubChem (CID 58550084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).