4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one

C14H18N2O — CID 23393107

IUPAC4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one
SMILESCC/C=C/CC1CN(c2ccccc2)NC1=O
InChIInChI=1S/C14H18N2O/c1-2-3-5-8-12-11-16(15-14(12)17)13-9-6-4-7-10-13/h3-7,9-10,12H,2,8,11H2,1H3,(H,15,17)/b5-3+
InChIKeyUVELLRCTOCCFGE-HWKANZROSA-N
MW230.31 g/mol
LogP2.51
Rot. Bonds4

About 4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one

4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one (PubChem CID 23393107) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one
PubChem CID23393107
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one
SMILESCC/C=C/CC1CN(c2ccccc2)NC1=O
InChIInChI=1S/C14H18N2O/c1-2-3-5-8-12-11-16(15-14(12)17)13-9-6-4-7-10-13/h3-7,9-10,12H,2,8,11H2,1H3,(H,15,17)/b5-3+
InChIKeyUVELLRCTOCCFGE-HWKANZROSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one?
The IUPAC name of 4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one (CID 23393107) is 4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one.
What is the SMILES notation for 4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one?
The canonical SMILES for 4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one is CC/C=C/CC1CN(c2ccccc2)NC1=O.
What is the InChIKey of 4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one?
The InChIKey is UVELLRCTOCCFGE-HWKANZROSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-3-5-8-12-11-16(15-14(12)17)13-9-6-4-7-10-13/h3-7,9-10,12H,2,8,11H2,1H3,(H,15,17)/b5-3+.
What are the key properties of 4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one?
4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one has a molecular weight of 230.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-pent-2-enyl]-1-phenylpyrazolidin-3-one is sourced from PubChem (CID 23393107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).