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

C15H15N3O6 — CID 126129777

IUPAC(5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])c(OC)cc2OC)C1=O
InChIInChI=1S/C15H15N3O6/c1-4-5-17-14(19)10(16-15(17)20)6-9-7-11(18(21)22)13(24-3)8-12(9)23-2/h4,6-8H,1,5H2,2-3H3,(H,16,20)/b10-6+
InChIKeyHGVIPCVMWXEQKT-UXBLZVDNSA-N
MW333.30 g/mol
LogP1.69
Rot. Bonds6

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

(5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (PubChem CID 126129777) has the molecular formula C15H15N3O6 and a molecular weight of 333.30 g/mol. Its IUPAC name is (5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
PubChem CID126129777
Molecular FormulaC15H15N3O6
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC Name(5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])c(OC)cc2OC)C1=O
InChIInChI=1S/C15H15N3O6/c1-4-5-17-14(19)10(16-15(17)20)6-9-7-11(18(21)22)13(24-3)8-12(9)23-2/h4,6-8H,1,5H2,2-3H3,(H,16,20)/b10-6+
InChIKeyHGVIPCVMWXEQKT-UXBLZVDNSA-N
XLogP1.69
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126148692
(5E)-5-[[2-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126130003
(5E)-5-[(3-iodo-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126137128
5-[(3-chloro-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 4654737
5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 5025593
(5Z)-5-[(4-methoxy-3-nitrophenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1305962
(5E)-3-benzyl-5-[(4-methoxy-3-nitrophenyl)methylidene]imidazolidine-2,4-dione
CID 126204208
2-[(5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 126130215
(5E)-5-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126132044
(5E)-5-[(3-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126145833
(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126154406
(5Z)-5-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126132727

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione (CID 126129777) is (5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is C=CCN1C(=O)N/C(=C/c2cc([N+](=O)[O-])c(OC)cc2OC)C1=O.
What is the InChIKey of (5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
The InChIKey is HGVIPCVMWXEQKT-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H15N3O6/c1-4-5-17-14(19)10(16-15(17)20)6-9-7-11(18(21)22)13(24-3)8-12(9)23-2/h4,6-8H,1,5H2,2-3H3,(H,16,20)/b10-6+.
What are the key properties of (5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione?
(5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione has a molecular weight of 333.30 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione is sourced from PubChem (CID 126129777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).