2-imidazolidin-2-ylidene-1-phenylpent-4-en-1-one

C14H16N2O — CID 10421313

IUPAC2-imidazolidin-2-ylidene-1-phenylpent-4-en-1-one
SMILESC=CCC(C(=O)c1ccccc1)=C1NCCN1
InChIInChI=1S/C14H16N2O/c1-2-6-12(14-15-9-10-16-14)13(17)11-7-4-3-5-8-11/h2-5,7-8,15-16H,1,6,9-10H2
InChIKeyUYIVUSAAIFJRLR-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.85
Rot. Bonds4

About 2-imidazolidin-2-ylidene-1-phenylpent-4-en-1-one

2-imidazolidin-2-ylidene-1-phenylpent-4-en-1-one (PubChem CID 10421313) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-imidazolidin-2-ylidene-1-phenylpent-4-en-1-one.

Molecular Properties

Compound Name2-imidazolidin-2-ylidene-1-phenylpent-4-en-1-one
PubChem CID10421313
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-imidazolidin-2-ylidene-1-phenylpent-4-en-1-one
SMILESC=CCC(C(=O)c1ccccc1)=C1NCCN1
InChIInChI=1S/C14H16N2O/c1-2-6-12(14-15-9-10-16-14)13(17)11-7-4-3-5-8-11/h2-5,7-8,15-16H,1,6,9-10H2
InChIKeyUYIVUSAAIFJRLR-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imidazolidin-2-ylidene-1-phenylpent-4-en-1-one?
The IUPAC name of 2-imidazolidin-2-ylidene-1-phenylpent-4-en-1-one (CID 10421313) is 2-imidazolidin-2-ylidene-1-phenylpent-4-en-1-one.
What is the SMILES notation for 2-imidazolidin-2-ylidene-1-phenylpent-4-en-1-one?
The canonical SMILES for 2-imidazolidin-2-ylidene-1-phenylpent-4-en-1-one is C=CCC(C(=O)c1ccccc1)=C1NCCN1.
What is the InChIKey of 2-imidazolidin-2-ylidene-1-phenylpent-4-en-1-one?
The InChIKey is UYIVUSAAIFJRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-6-12(14-15-9-10-16-14)13(17)11-7-4-3-5-8-11/h2-5,7-8,15-16H,1,6,9-10H2.
What are the key properties of 2-imidazolidin-2-ylidene-1-phenylpent-4-en-1-one?
2-imidazolidin-2-ylidene-1-phenylpent-4-en-1-one has a molecular weight of 228.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazolidin-2-ylidene-1-phenylpent-4-en-1-one is sourced from PubChem (CID 10421313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).