(5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one

C19H17NO2 — CID 6508826

IUPAC(5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one
SMILESCC1=N/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)C1
InChIInChI=1S/C19H17NO2/c1-14-11-19(21)18(20-14)12-15-7-9-17(10-8-15)22-13-16-5-3-2-4-6-16/h2-10,12H,11,13H2,1H3/b18-12+
InChIKeyXZPMEIAJEHVXQJ-LDADJPATSA-N
MW291.35 g/mol
LogP4.04
Rot. Bonds4

About (5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one

(5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one (PubChem CID 6508826) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one.

Molecular Properties

Compound Name(5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one
PubChem CID6508826
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one
SMILESCC1=N/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)C1
InChIInChI=1S/C19H17NO2/c1-14-11-19(21)18(20-14)12-15-7-9-17(10-8-15)22-13-16-5-3-2-4-6-16/h2-10,12H,11,13H2,1H3/b18-12+
InChIKeyXZPMEIAJEHVXQJ-LDADJPATSA-N
XLogP4.04
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[[4-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenyl]methylidene]-2-methyl-1,3-oxazol-5-one
CID 6508827
3-phenyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydro-1,2,4-triazin-6-one
CID 2817102
(4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 19665278
(4Z)-4-[(4-phenylmethoxyphenyl)methylidene]-2-propylsulfanyl-1,3-thiazol-5-one
CID 2181241
(5Z)-3-butyl-2-[4-[(4Z)-1-butyl-5-oxo-4-[(4-phenylmethoxyphenyl)methylidene]imidazol-2-yl]piperazin-1-yl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one
CID 71540482
(2Z,6E)-4-methyl-2,6-bis[(4-phenylmethoxyphenyl)methylidene]cyclohexan-1-one
CID 17386127
(4Z)-2-(4-iodophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5285822
2-(2-bromophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4018317
(5Z)-2-(4-methylpiperazin-1-yl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 2000831
1,3-dimethyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2261786
2-(4-decoxyphenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4608824
2-(3-chlorophenyl)-4-[(4-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3109497

Frequently Asked Questions

What is the IUPAC name of (5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one?
The IUPAC name of (5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one (CID 6508826) is (5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one.
What is the SMILES notation for (5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one?
The canonical SMILES for (5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one is CC1=N/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)C1.
What is the InChIKey of (5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one?
The InChIKey is XZPMEIAJEHVXQJ-LDADJPATSA-N. The full InChI is InChI=1S/C19H17NO2/c1-14-11-19(21)18(20-14)12-15-7-9-17(10-8-15)22-13-16-5-3-2-4-6-16/h2-10,12H,11,13H2,1H3/b18-12+.
What are the key properties of (5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one?
(5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one has a molecular weight of 291.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one is sourced from PubChem (CID 6508826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).