(5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione

C13H13N3O5 — CID 126245102

IUPAC(5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O
InChIInChI=1S/C13H13N3O5/c1-2-5-15-12(18)10(14-13(15)19)7-8-6-9(17)3-4-11(8)16(20)21/h3-4,6-7,17H,2,5H2,1H3,(H,14,19)/b10-7+
InChIKeyOJKRVZPOJFHDPQ-JXMROGBWSA-N
MW291.26 g/mol
LogP1.60
Rot. Bonds4

About (5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione

(5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione (PubChem CID 126245102) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is (5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione
PubChem CID126245102
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name(5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O
InChIInChI=1S/C13H13N3O5/c1-2-5-15-12(18)10(14-13(15)19)7-8-6-9(17)3-4-11(8)16(20)21/h3-4,6-7,17H,2,5H2,1H3,(H,14,19)/b10-7+
InChIKeyOJKRVZPOJFHDPQ-JXMROGBWSA-N
XLogP1.60
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', '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'}

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Related Compounds

(5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126243745
(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126243676
(5E)-3-butyl-5-[(2-nitrophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19545503
(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126554488
(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126246821
3-ethenyl-4-nitrophenol
CID 18352402
(5Z)-3-ethyl-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 126243794
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 21230388
(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126226720
(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126241446
(5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126245593
5-[(1-methylindol-3-yl)methylidene]-3-propylimidazolidine-2,4-dione
CID 5041108

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione (CID 126245102) is (5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O.
What is the InChIKey of (5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione?
The InChIKey is OJKRVZPOJFHDPQ-JXMROGBWSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-2-5-15-12(18)10(14-13(15)19)7-8-6-9(17)3-4-11(8)16(20)21/h3-4,6-7,17H,2,5H2,1H3,(H,14,19)/b10-7+.
What are the key properties of (5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione?
(5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione has a molecular weight of 291.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 126245102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).