(1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one

C23H19NO4 — CID 139496569

IUPAC(1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one
SMILESCC1=CC(O/C=C2/C(=O)N(c3ccccc3)C3Cc4ccccc4C23)OC1=O
InChIInChI=1S/C23H19NO4/c1-14-11-20(28-23(14)26)27-13-18-21-17-10-6-5-7-15(17)12-19(21)24(22(18)25)16-8-3-2-4-9-16/h2-11,13,19-21H,12H2,1H3/b18-13+
InChIKeyBHBLGEFDTFVCCM-QGOAFFKASA-N
MW373.41 g/mol
LogP3.47
Rot. Bonds3

About (1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one

(1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one (PubChem CID 139496569) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is (1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one.

Molecular Properties

Compound Name(1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one
PubChem CID139496569
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name(1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one
SMILESCC1=CC(O/C=C2/C(=O)N(c3ccccc3)C3Cc4ccccc4C23)OC1=O
InChIInChI=1S/C23H19NO4/c1-14-11-20(28-23(14)26)27-13-18-21-17-10-6-5-7-15(17)12-19(21)24(22(18)25)16-8-3-2-4-9-16/h2-11,13,19-21H,12H2,1H3/b18-13+
InChIKeyBHBLGEFDTFVCCM-QGOAFFKASA-N
XLogP3.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one?
The IUPAC name of (1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one (CID 139496569) is (1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one.
What is the SMILES notation for (1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one?
The canonical SMILES for (1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one is CC1=CC(O/C=C2/C(=O)N(c3ccccc3)C3Cc4ccccc4C23)OC1=O.
What is the InChIKey of (1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one?
The InChIKey is BHBLGEFDTFVCCM-QGOAFFKASA-N. The full InChI is InChI=1S/C23H19NO4/c1-14-11-20(28-23(14)26)27-13-18-21-17-10-6-5-7-15(17)12-19(21)24(22(18)25)16-8-3-2-4-9-16/h2-11,13,19-21H,12H2,1H3/b18-13+.
What are the key properties of (1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one?
(1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one has a molecular weight of 373.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-b]pyrrol-2-one is sourced from PubChem (CID 139496569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).