1-but-1-en-2-ylpiperazin-2-one

C8H14N2O — CID 130281880

IUPAC1-but-1-en-2-ylpiperazin-2-one
SMILESC=C(CC)N1CCNCC1=O
InChIInChI=1S/C8H14N2O/c1-3-7(2)10-5-4-9-6-8(10)11/h9H,2-6H2,1H3
InChIKeyDCCKQZWTYIVIMY-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.34
Rot. Bonds2

About 1-but-1-en-2-ylpiperazin-2-one

1-but-1-en-2-ylpiperazin-2-one (PubChem CID 130281880) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-but-1-en-2-ylpiperazin-2-one.

Molecular Properties

Compound Name1-but-1-en-2-ylpiperazin-2-one
PubChem CID130281880
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-but-1-en-2-ylpiperazin-2-one
SMILESC=C(CC)N1CCNCC1=O
InChIInChI=1S/C8H14N2O/c1-3-7(2)10-5-4-9-6-8(10)11/h9H,2-6H2,1H3
InChIKeyDCCKQZWTYIVIMY-UHFFFAOYSA-N
XLogP0.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-ylpiperazin-2-one?
The IUPAC name of 1-but-1-en-2-ylpiperazin-2-one (CID 130281880) is 1-but-1-en-2-ylpiperazin-2-one.
What is the SMILES notation for 1-but-1-en-2-ylpiperazin-2-one?
The canonical SMILES for 1-but-1-en-2-ylpiperazin-2-one is C=C(CC)N1CCNCC1=O.
What is the InChIKey of 1-but-1-en-2-ylpiperazin-2-one?
The InChIKey is DCCKQZWTYIVIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-7(2)10-5-4-9-6-8(10)11/h9H,2-6H2,1H3.
What are the key properties of 1-but-1-en-2-ylpiperazin-2-one?
1-but-1-en-2-ylpiperazin-2-one has a molecular weight of 154.21 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-ylpiperazin-2-one is sourced from PubChem (CID 130281880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).