(5E)-1-(furan-2-ylmethyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

C20H15N3O5 — CID 6290166

IUPAC(5E)-1-(furan-2-ylmethyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1
InChIInChI=1S/C20H15N3O5/c24-15-7-5-13(6-8-15)22-9-1-3-14(22)11-17-18(25)21-20(27)23(19(17)26)12-16-4-2-10-28-16/h1-11,24H,12H2,(H,21,25,27)/b17-11+
InChIKeyPZDVXSLODFWEHV-GZTJUZNOSA-N
MW377.36 g/mol
LogP2.44
Rot. Bonds4

About (5E)-1-(furan-2-ylmethyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

(5E)-1-(furan-2-ylmethyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 6290166) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is (5E)-1-(furan-2-ylmethyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-1-(furan-2-ylmethyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID6290166
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC Name(5E)-1-(furan-2-ylmethyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1
InChIInChI=1S/C20H15N3O5/c24-15-7-5-13(6-8-15)22-9-1-3-14(22)11-17-18(25)21-20(27)23(19(17)26)12-16-4-2-10-28-16/h1-11,24H,12H2,(H,21,25,27)/b17-11+
InChIKeyPZDVXSLODFWEHV-GZTJUZNOSA-N
XLogP2.44
TPSA104.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5E)-1-(furan-2-ylmethyl)-5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 6393029
(5E)-1-(furan-2-ylmethyl)-5-[(3-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6044099
4-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]benzoic acid
CID 126375599
1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 3918951
(5E)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126028336
2-[2-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetic acid
CID 6045118
5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 4621235
(5E)-5-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 124550474
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 1135453
(5Z)-5-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 124550580
1-(furan-2-ylmethyl)-5-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1388439
(5E)-5-[[5-(4-acetylphenyl)furan-2-yl]methylidene]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 6150824

Frequently Asked Questions

What is the IUPAC name of (5E)-1-(furan-2-ylmethyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-1-(furan-2-ylmethyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione (CID 6290166) is (5E)-1-(furan-2-ylmethyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-1-(furan-2-ylmethyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-1-(furan-2-ylmethyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1.
What is the InChIKey of (5E)-1-(furan-2-ylmethyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is PZDVXSLODFWEHV-GZTJUZNOSA-N. The full InChI is InChI=1S/C20H15N3O5/c24-15-7-5-13(6-8-15)22-9-1-3-14(22)11-17-18(25)21-20(27)23(19(17)26)12-16-4-2-10-28-16/h1-11,24H,12H2,(H,21,25,27)/b17-11+.
What are the key properties of (5E)-1-(furan-2-ylmethyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione?
(5E)-1-(furan-2-ylmethyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 377.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-(furan-2-ylmethyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 6290166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).