(5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

C21H24N2O5 — CID 1213588

IUPAC(5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(/C=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)c(OC)c1
InChIInChI=1S/C21H24N2O5/c1-27-16-9-8-15(18(13-16)28-2)12-17-19(24)22-21(26)23(20(17)25)11-10-14-6-4-3-5-7-14/h6,8-9,12-13H,3-5,7,10-11H2,1-2H3,(H,22,24,26)/b17-12+
InChIKeyQFIYJAYPQPKUFN-SFQUDFHCSA-N
MW384.43 g/mol
LogP3.06
Rot. Bonds6

About (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

(5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 1213588) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID1213588
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name(5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(/C=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)c(OC)c1
InChIInChI=1S/C21H24N2O5/c1-27-16-9-8-15(18(13-16)28-2)12-17-19(24)22-21(26)23(20(17)25)11-10-14-6-4-3-5-7-14/h6,8-9,12-13H,3-5,7,10-11H2,1-2H3,(H,22,24,26)/b17-12+
InChIKeyQFIYJAYPQPKUFN-SFQUDFHCSA-N
XLogP3.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione (CID 1213588) is (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is COc1ccc(/C=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)c(OC)c1.
What is the InChIKey of (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is QFIYJAYPQPKUFN-SFQUDFHCSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-27-16-9-8-15(18(13-16)28-2)12-17-19(24)22-21(26)23(20(17)25)11-10-14-6-4-3-5-7-14/h6,8-9,12-13H,3-5,7,10-11H2,1-2H3,(H,22,24,26)/b17-12+.
What are the key properties of (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
(5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 384.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-[2-(cyclohexen-1-yl)ethyl]-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 1213588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).