ethene;1-piperazin-1-ylethanone

C8H16N2O — CID 145071339

IUPACethene;1-piperazin-1-ylethanone
SMILESC=C.CC(=O)N1CCNCC1
InChIInChI=1S/C6H12N2O.C2H4/c1-6(9)8-4-2-7-3-5-8;1-2/h7H,2-5H2,1H3;1-2H2
InChIKeyGWCMVUWUTGBLPM-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.24
Rot. Bonds

About ethene;1-piperazin-1-ylethanone

ethene;1-piperazin-1-ylethanone (PubChem CID 145071339) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is ethene;1-piperazin-1-ylethanone.

Molecular Properties

Compound Nameethene;1-piperazin-1-ylethanone
PubChem CID145071339
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Nameethene;1-piperazin-1-ylethanone
SMILESC=C.CC(=O)N1CCNCC1
InChIInChI=1S/C6H12N2O.C2H4/c1-6(9)8-4-2-7-3-5-8;1-2/h7H,2-5H2,1H3;1-2H2
InChIKeyGWCMVUWUTGBLPM-UHFFFAOYSA-N
XLogP0.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 28507184
1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone
CID 178104627
ethene;1-pyrrolidin-1-ylethanone
CID 155736333
CID 159453114
CID 159453114
1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 59625808
1-[(6E)-2,3,5,8-tetrahydro-1H-1,4-diazocin-4-yl]ethanone
CID 121370345
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
piperazine-1-carbothioic S-acid
CID 22219896
2-oxo-2-piperazin-1-ylacetic acid
CID 2050152
2-methylfuran;1-piperazin-1-ylethanone
CID 143298157
S-[1-(4-acetylpiperazine-1-carbonyl)azetidin-3-yl] ethanethioate;1-piperazin-1-ylethanone
CID 160844341
(E)-1,4-di(piperazin-1-yl)but-2-ene-1,4-dione
CID 141152573

Frequently Asked Questions

What is the IUPAC name of ethene;1-piperazin-1-ylethanone?
The IUPAC name of ethene;1-piperazin-1-ylethanone (CID 145071339) is ethene;1-piperazin-1-ylethanone.
What is the SMILES notation for ethene;1-piperazin-1-ylethanone?
The canonical SMILES for ethene;1-piperazin-1-ylethanone is C=C.CC(=O)N1CCNCC1.
What is the InChIKey of ethene;1-piperazin-1-ylethanone?
The InChIKey is GWCMVUWUTGBLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2H4/c1-6(9)8-4-2-7-3-5-8;1-2/h7H,2-5H2,1H3;1-2H2.
What are the key properties of ethene;1-piperazin-1-ylethanone?
ethene;1-piperazin-1-ylethanone has a molecular weight of 156.23 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-piperazin-1-ylethanone is sourced from PubChem (CID 145071339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).