5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C20H21N3O4 — CID 163358794

IUPAC5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC1Cc2ccccc2N1/C=C/C=C(\O)C=C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C20H21N3O4/c1-13-11-14-7-4-5-9-17(14)23(13)10-6-8-15(24)12-16-18(25)21(2)20(27)22(3)19(16)26/h4-10,12-13,24H,11H2,1-3H3/b10-6+,15-8-
InChIKeyNNLVQKKLPZLNDA-MEEUMAGESA-N
MW367.41 g/mol
LogP2.37
Rot. Bonds3

About 5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 163358794) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID163358794
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC1Cc2ccccc2N1/C=C/C=C(\O)C=C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C20H21N3O4/c1-13-11-14-7-4-5-9-17(14)23(13)10-6-8-15(24)12-16-18(25)21(2)20(27)22(3)19(16)26/h4-10,12-13,24H,11H2,1-3H3/b10-6+,15-8-
InChIKeyNNLVQKKLPZLNDA-MEEUMAGESA-N
XLogP2.37
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.37
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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione with MolForge

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Related Compounds

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CID 141029511
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CID 173386636
1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea
CID 112989569
(E)-2-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobut-2-enoic acid
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3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)but-2-enoic acid
CID 77006272
2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone
CID 154269725
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(2R)-1-iodo-2-methyl-2,3-dihydroindole
CID 142057461
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 26910878
ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 123732001
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
CID 62613248
1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626165

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 163358794) is 5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CC1Cc2ccccc2N1/C=C/C=C(\O)C=C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is NNLVQKKLPZLNDA-MEEUMAGESA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-11-14-7-4-5-9-17(14)23(13)10-6-8-15(24)12-16-18(25)21(2)20(27)22(3)19(16)26/h4-10,12-13,24H,11H2,1-3H3/b10-6+,15-8-.
What are the key properties of 5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 367.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z,4E)-2-hydroxy-5-(2-methyl-2,3-dihydroindol-1-yl)penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 163358794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).