(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one

C14H14N2O2 — CID 70809012

IUPAC(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one
SMILESC/C=C/C1=N/C(=C\c2ccc(O)cc2)C(=O)N1C
InChIInChI=1S/C14H14N2O2/c1-3-4-13-15-12(14(18)16(13)2)9-10-5-7-11(17)8-6-10/h3-9,17H,1-2H3/b4-3+,12-9-
InChIKeyAZYAWTXHVLUIPW-KLGBCXIOSA-N
MW242.28 g/mol
LogP2.18
Rot. Bonds2

About (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one

(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one (PubChem CID 70809012) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one
PubChem CID70809012
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one
SMILESC/C=C/C1=N/C(=C\c2ccc(O)cc2)C(=O)N1C
InChIInChI=1S/C14H14N2O2/c1-3-4-13-15-12(14(18)16(13)2)9-10-5-7-11(17)8-6-10/h3-9,17H,1-2H3/b4-3+,12-9-
InChIKeyAZYAWTXHVLUIPW-KLGBCXIOSA-N
XLogP2.18
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one (CID 70809012) is (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one is C/C=C/C1=N/C(=C\c2ccc(O)cc2)C(=O)N1C.
What is the InChIKey of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one?
The InChIKey is AZYAWTXHVLUIPW-KLGBCXIOSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-4-13-15-12(14(18)16(13)2)9-10-5-7-11(17)8-6-10/h3-9,17H,1-2H3/b4-3+,12-9-.
What are the key properties of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one?
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one has a molecular weight of 242.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-prop-1-enyl]imidazol-4-one is sourced from PubChem (CID 70809012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).