6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-prop-2-enylpyrimidine-2,4-dione

C16H13N3O3 — CID 135440820

IUPAC6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C=C2\C=Nc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C16H13N3O3/c1-2-7-19-15(21)12(14(20)18-16(19)22)8-10-9-17-13-6-4-3-5-11(10)13/h2-6,8-9,21H,1,7H2,(H,18,20,22)/b10-8+
InChIKeyIZPKGGOURMKCTC-CSKARUKUSA-N
MW295.30 g/mol
LogP1.68
Rot. Bonds3

About 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-prop-2-enylpyrimidine-2,4-dione

6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 135440820) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID135440820
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C=C2\C=Nc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C16H13N3O3/c1-2-7-19-15(21)12(14(20)18-16(19)22)8-10-9-17-13-6-4-3-5-11(10)13/h2-6,8-9,21H,1,7H2,(H,18,20,22)/b10-8+
InChIKeyIZPKGGOURMKCTC-CSKARUKUSA-N
XLogP1.68
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(Anilinomethylene)-1,3-dimethylbarbituric acid
CID 2320102
(5E)-5-[(cyclopropylamino)methylidene]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4(3H,5H)-dione
CID 1400820
1-allyl-5-{[(4-fluorophenyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1908935
1,3-dimethyl-5-{[3-(trifluoromethyl)anilino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2308729
(5E)-1-(4-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135469945
5-[(1H-indol-3-yl)methylidene]imidazolidine-2,4-dione
CID 135411750
(5Z)-5-(1H-indol-3-ylmethylidene)-1-phenyl-1,3-diazinane-2,4,6-trione
CID 135458887
5-(Anilinomethylene)barbituric acid
CID 2250488
5-[[4-(Diethylamino)anilino]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 659624
(5Z)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-1,3-diazinane-2,4,6-trione
CID 662574
5-[3-(Diethylamino)propyliminomethyl]-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 665243
(5Z)-5-({[2-(diethylamino)ethyl]amino}methylidene)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1607570

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-prop-2-enylpyrimidine-2,4-dione (CID 135440820) is 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(O)c(/C=C2\C=Nc3ccccc32)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is IZPKGGOURMKCTC-CSKARUKUSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-2-7-19-15(21)12(14(20)18-16(19)22)8-10-9-17-13-6-4-3-5-11(10)13/h2-6,8-9,21H,1,7H2,(H,18,20,22)/b10-8+.
What are the key properties of 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-prop-2-enylpyrimidine-2,4-dione?
6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 295.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 135440820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).