(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

C15H16N2O4 — CID 126148692

IUPAC(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2cccc(OC)c2OC)C1=O
InChIInChI=1S/C15H16N2O4/c1-4-8-17-14(18)11(16-15(17)19)9-10-6-5-7-12(20-2)13(10)21-3/h4-7,9H,1,8H2,2-3H3,(H,16,19)/b11-9+
InChIKeyKHASAVPACINJIB-PKNBQFBNSA-N
MW288.30 g/mol
LogP1.78
Rot. Bonds5

About (5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (PubChem CID 126148692) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
PubChem CID126148692
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2cccc(OC)c2OC)C1=O
InChIInChI=1S/C15H16N2O4/c1-4-8-17-14(18)11(16-15(17)19)9-10-6-5-7-12(20-2)13(10)21-3/h4-7,9H,1,8H2,2-3H3,(H,16,19)/b11-9+
InChIKeyKHASAVPACINJIB-PKNBQFBNSA-N
XLogP1.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490219
5-[(2,3-dimethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2879730
5-[(2-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 4076405
(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126154406
(5E)-5-[[2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126140503
3-[(4-fluorophenyl)methyl]-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3998244
methyl 2-[4-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 71832654
(5E)-5-[(3-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126145833
5-[(3-chloro-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 4654737
(5E)-5-[(3-iodo-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126137128
(5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126129777
(5E)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126248453

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (CID 126148692) is (5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is C=CCN1C(=O)N/C(=C/c2cccc(OC)c2OC)C1=O.
What is the InChIKey of (5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is KHASAVPACINJIB-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-4-8-17-14(18)11(16-15(17)19)9-10-6-5-7-12(20-2)13(10)21-3/h4-7,9H,1,8H2,2-3H3,(H,16,19)/b11-9+.
What are the key properties of (5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 288.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 126148692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).