(2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone

C14H16N2O — CID 10466329

IUPAC(2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone
SMILESC=CCN1CCN/C1=C\C(=O)c1ccccc1
InChIInChI=1S/C14H16N2O/c1-2-9-16-10-8-15-14(16)11-13(17)12-6-4-3-5-7-12/h2-7,11,15H,1,8-10H2/b14-11+
InChIKeyPLKVPLRFWHLMIG-SDNWHVSQSA-N
MW228.29 g/mol
LogP1.80
Rot. Bonds4

About (2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone

(2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone (PubChem CID 10466329) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone.

Molecular Properties

Compound Name(2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone
PubChem CID10466329
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone
SMILESC=CCN1CCN/C1=C\C(=O)c1ccccc1
InChIInChI=1S/C14H16N2O/c1-2-9-16-10-8-15-14(16)11-13(17)12-6-4-3-5-7-12/h2-7,11,15H,1,8-10H2/b14-11+
InChIKeyPLKVPLRFWHLMIG-SDNWHVSQSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
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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Related Compounds

(2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone
CID 10467700
(2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enyl-1,3-diazinan-2-ylidene)ethanone
CID 10084640
(2E)-2-(1-methylimidazolidin-2-ylidene)-1-(4-methylphenyl)ethanone
CID 11806109
2-(nitromethylidene)-1-prop-2-enylimidazolidine
CID 70251274
(2E)-1-(4-chlorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone
CID 10900643
1-(3-oxo-3-phenylpropyl)imidazolidin-2-one
CID 11183562
2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 2763481
(2E)-1-phenylhepta-2,6-dien-1-one
CID 12950359
(E)-1-phenyl-3-(triazol-2-yl)prop-2-en-1-one
CID 15568556
1-phenyl-2-(3-prop-2-enyl-2H-imidazol-1-yl)ethanone;hydrochloride
CID 173113542
methanamine;1-phenylprop-2-en-1-one
CID 91395058
2-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-ylidene]-1-phenylethanone
CID 59995843

Frequently Asked Questions

What is the IUPAC name of (2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone?
The IUPAC name of (2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone (CID 10466329) is (2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone.
What is the SMILES notation for (2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone?
The canonical SMILES for (2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone is C=CCN1CCN/C1=C\C(=O)c1ccccc1.
What is the InChIKey of (2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone?
The InChIKey is PLKVPLRFWHLMIG-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-9-16-10-8-15-14(16)11-13(17)12-6-4-3-5-7-12/h2-7,11,15H,1,8-10H2/b14-11+.
What are the key properties of (2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone?
(2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone has a molecular weight of 228.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone is sourced from PubChem (CID 10466329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).