1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one

C15H18N2O — CID 142075926

IUPAC1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one
SMILESC=Cc1c(/C=C\C)cccc1N1CCNCC1=O
InChIInChI=1S/C15H18N2O/c1-3-6-12-7-5-8-14(13(12)4-2)17-10-9-16-11-15(17)18/h3-8,16H,2,9-11H2,1H3/b6-3-
InChIKeyGJTGAJXUJYHYPD-UTCJRWHESA-N
MW242.32 g/mol
LogP2.30
Rot. Bonds3

About 1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one

1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one (PubChem CID 142075926) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one
PubChem CID142075926
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one
SMILESC=Cc1c(/C=C\C)cccc1N1CCNCC1=O
InChIInChI=1S/C15H18N2O/c1-3-6-12-7-5-8-14(13(12)4-2)17-10-9-16-11-15(17)18/h3-8,16H,2,9-11H2,1H3/b6-3-
InChIKeyGJTGAJXUJYHYPD-UTCJRWHESA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one?
The IUPAC name of 1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one (CID 142075926) is 1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one.
What is the SMILES notation for 1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one?
The canonical SMILES for 1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one is C=Cc1c(/C=C\C)cccc1N1CCNCC1=O.
What is the InChIKey of 1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one?
The InChIKey is GJTGAJXUJYHYPD-UTCJRWHESA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-6-12-7-5-8-14(13(12)4-2)17-10-9-16-11-15(17)18/h3-8,16H,2,9-11H2,1H3/b6-3-.
What are the key properties of 1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one?
1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethenyl-3-[(Z)-prop-1-enyl]phenyl]piperazin-2-one is sourced from PubChem (CID 142075926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).