4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one

C15H13N3O2 — CID 137035511

IUPAC4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one
SMILESC=CCn1c(O)c(C=C2C=Nc3ccccc32)[nH]c1=O
InChIInChI=1S/C15H13N3O2/c1-2-7-18-14(19)13(17-15(18)20)8-10-9-16-12-6-4-3-5-11(10)12/h2-6,8-9,19H,1,7H2,(H,17,20)
InChIKeyDWXOTCHZBNCWKW-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.32
Rot. Bonds3

About 4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one

4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one (PubChem CID 137035511) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one
PubChem CID137035511
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one
SMILESC=CCn1c(O)c(C=C2C=Nc3ccccc32)[nH]c1=O
InChIInChI=1S/C15H13N3O2/c1-2-7-18-14(19)13(17-15(18)20)8-10-9-16-12-6-4-3-5-11(10)12/h2-6,8-9,19H,1,7H2,(H,17,20)
InChIKeyDWXOTCHZBNCWKW-UHFFFAOYSA-N
XLogP2.32
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one
CID 135432741
2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide
CID 135718299
1-ethyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 951728
2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(2-methylphenyl)acetamide
CID 135718295
6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione
CID 762363
3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one
CID 2937683
2-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 137263335
2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-sulfamoylphenyl)acetamide
CID 135718306
1-tert-butyl-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 620473
(2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol
CID 135711437
6-hydroxy-5-(indol-3-ylidenemethyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 882217
1-(4-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135469945

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one?
The IUPAC name of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one (CID 137035511) is 4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one.
What is the SMILES notation for 4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one?
The canonical SMILES for 4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one is C=CCn1c(O)c(C=C2C=Nc3ccccc32)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one?
The InChIKey is DWXOTCHZBNCWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-7-18-14(19)13(17-15(18)20)8-10-9-16-12-6-4-3-5-11(10)12/h2-6,8-9,19H,1,7H2,(H,17,20).
What are the key properties of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one?
4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one has a molecular weight of 267.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one is sourced from PubChem (CID 137035511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).