4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one

C13H14N2O2 — CID 753621

IUPAC4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one
SMILESO=C1CN(C(=O)/C=C/c2ccccc2)CCN1
InChIInChI=1S/C13H14N2O2/c16-12-10-15(9-8-14-12)13(17)7-6-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,14,16)/b7-6+
InChIKeyARMFLVOHDHRKMX-VOTSOKGWSA-N
MW230.27 g/mol
LogP0.66
Rot. Bonds2

About 4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one

4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one (PubChem CID 753621) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one
PubChem CID753621
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one
SMILESO=C1CN(C(=O)/C=C/c2ccccc2)CCN1
InChIInChI=1S/C13H14N2O2/c16-12-10-15(9-8-14-12)13(17)7-6-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,14,16)/b7-6+
InChIKeyARMFLVOHDHRKMX-VOTSOKGWSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.66
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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one?
The IUPAC name of 4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one (CID 753621) is 4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one.
What is the SMILES notation for 4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one?
The canonical SMILES for 4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one is O=C1CN(C(=O)/C=C/c2ccccc2)CCN1.
What is the InChIKey of 4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one?
The InChIKey is ARMFLVOHDHRKMX-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-12-10-15(9-8-14-12)13(17)7-6-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,14,16)/b7-6+.
What are the key properties of 4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one?
4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one has a molecular weight of 230.27 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-phenylprop-2-enoyl]piperazin-2-one is sourced from PubChem (CID 753621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).