4-but-2-enoylpiperazin-2-one

C8H12N2O2 — CID 76872122

IUPAC4-but-2-enoylpiperazin-2-one
SMILESCC=CC(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H12N2O2/c1-2-3-8(12)10-5-4-9-7(11)6-10/h2-3H,4-6H2,1H3,(H,9,11)
InChIKeyWHPYCGCUTVRJOF-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.48
Rot. Bonds1

About 4-but-2-enoylpiperazin-2-one

4-but-2-enoylpiperazin-2-one (PubChem CID 76872122) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-but-2-enoylpiperazin-2-one.

Molecular Properties

Compound Name4-but-2-enoylpiperazin-2-one
PubChem CID76872122
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-but-2-enoylpiperazin-2-one
SMILESCC=CC(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H12N2O2/c1-2-3-8(12)10-5-4-9-7(11)6-10/h2-3H,4-6H2,1H3,(H,9,11)
InChIKeyWHPYCGCUTVRJOF-UHFFFAOYSA-N
XLogP-0.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-but-2-enoyl]-1,4-diazepan-5-one
CID 63004581
4-prop-2-enoylpiperazin-2-one
CID 43616246
4-acetylpiperazin-2-one
CID 12744517
N-methyl-3-oxopiperazine-1-carboxamide
CID 53017571
4-[3-(furan-2-yl)prop-2-enoyl]piperazin-2-one
CID 75354993
4-[3-(2,3-dichlorophenyl)prop-2-enoyl]piperazin-2-one
CID 74607633
4-(2,2-dimethylbutanoyl)piperazin-2-one
CID 62848971
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
4-(2,2,2-trifluoroacetyl)piperazin-2-one
CID 62733743
4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride
CID 56831864
4-[(E)-but-2-enoyl]-3,3-dimethylpiperazin-2-one
CID 63606699
4-(2-methylsulfanylpropanoyl)piperazin-2-one
CID 126998947

Frequently Asked Questions

What is the IUPAC name of 4-but-2-enoylpiperazin-2-one?
The IUPAC name of 4-but-2-enoylpiperazin-2-one (CID 76872122) is 4-but-2-enoylpiperazin-2-one.
What is the SMILES notation for 4-but-2-enoylpiperazin-2-one?
The canonical SMILES for 4-but-2-enoylpiperazin-2-one is CC=CC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-but-2-enoylpiperazin-2-one?
The InChIKey is WHPYCGCUTVRJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-3-8(12)10-5-4-9-7(11)6-10/h2-3H,4-6H2,1H3,(H,9,11).
What are the key properties of 4-but-2-enoylpiperazin-2-one?
4-but-2-enoylpiperazin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-enoylpiperazin-2-one is sourced from PubChem (CID 76872122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).