(2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone

C15H18N2O2 — CID 10467700

IUPAC(2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone
SMILESC=CCN1CCN/C1=C\C(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H18N2O2/c1-3-9-17-10-8-16-15(17)11-14(18)12-4-6-13(19-2)7-5-12/h3-7,11,16H,1,8-10H2,2H3/b15-11+
InChIKeyLDZSWFNPCSOZLW-RVDMUPIBSA-N
MW258.32 g/mol
LogP1.81
Rot. Bonds5

About (2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone

(2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone (PubChem CID 10467700) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone.

Molecular Properties

Compound Name(2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone
PubChem CID10467700
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone
SMILESC=CCN1CCN/C1=C\C(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H18N2O2/c1-3-9-17-10-8-16-15(17)11-14(18)12-4-6-13(19-2)7-5-12/h3-7,11,16H,1,8-10H2,2H3/b15-11+
InChIKeyLDZSWFNPCSOZLW-RVDMUPIBSA-N
XLogP1.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-enyl-1,3-diazinan-2-ylidene)ethanone
CID 10084640
(2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone
CID 177488398
(4-methoxyphenyl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95750047
2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone
CID 10682780
ethane;(E)-1-(4-methoxyphenyl)-4-piperazin-1-ylbut-2-ene-1,4-dione
CID 177039562
1,4-dimethoxybenzene;1-piperazin-1-ylprop-2-en-1-one
CID 174975795
4-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazin-2-one
CID 63607166
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
(3R)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one
CID 95813138
3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one
CID 110252089
4-[2-(4-methoxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
CID 63606471
4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone?
The IUPAC name of (2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone (CID 10467700) is (2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone.
What is the SMILES notation for (2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone?
The canonical SMILES for (2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone is C=CCN1CCN/C1=C\C(=O)c1ccc(OC)cc1.
What is the InChIKey of (2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone?
The InChIKey is LDZSWFNPCSOZLW-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-9-17-10-8-16-15(17)11-14(18)12-4-6-13(19-2)7-5-12/h3-7,11,16H,1,8-10H2,2H3/b15-11+.
What are the key properties of (2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone?
(2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone has a molecular weight of 258.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone is sourced from PubChem (CID 10467700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).