(3E)-3-[[1-(methoxymethyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one

C19H20N2O4 — CID 118350165

IUPAC(3E)-3-[[1-(methoxymethyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
SMILESCOCN1C(=O)C(C)=CC1O/C=C1/C(=O)NC2c3ccccc3CC12
InChIInChI=1S/C19H20N2O4/c1-11-7-16(21(10-24-2)19(11)23)25-9-15-14-8-12-5-3-4-6-13(12)17(14)20-18(15)22/h3-7,9,14,16-17H,8,10H2,1-2H3,(H,20,22)/b15-9+
InChIKeyJLGWWSKWAPGLSP-OQLLNIDSSA-N
MW340.38 g/mol
LogP1.65
Rot. Bonds4

About (3E)-3-[[1-(methoxymethyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one

(3E)-3-[[1-(methoxymethyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one (PubChem CID 118350165) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3E)-3-[[1-(methoxymethyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one.

Molecular Properties

Compound Name(3E)-3-[[1-(methoxymethyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
PubChem CID118350165
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(3E)-3-[[1-(methoxymethyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
SMILESCOCN1C(=O)C(C)=CC1O/C=C1/C(=O)NC2c3ccccc3CC12
InChIInChI=1S/C19H20N2O4/c1-11-7-16(21(10-24-2)19(11)23)25-9-15-14-8-12-5-3-4-6-13(12)17(14)20-18(15)22/h3-7,9,14,16-17H,8,10H2,1-2H3,(H,20,22)/b15-9+
InChIKeyJLGWWSKWAPGLSP-OQLLNIDSSA-N
XLogP1.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
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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Related Compounds

3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
CID 123469160
(3E)-3-[(3,4-dimethyl-5-oxo-1-phenyl-2H-pyrrol-2-yl)oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
CID 118350170
(3E)-3-[(4-methyl-5-oxo-1-prop-2-ynyl-2H-pyrrol-2-yl)oxymethylidene]-2-oxo-4,8b-dihydro-3aH-indeno[1,2-b]pyrrole-1-carboxylic acid
CID 118342028
3-[[3,4-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
CID 123908889
tert-butyl (2S)-2-[(Z)-[(3aR,8bS)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-b]furan-3-ylidene]methoxy]-4-methyl-5-oxo-2H-pyrrole-1-carboxylate
CID 177397765
(3E)-3-[[1-(3,5-difluorophenyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-2-oxo-4,8b-dihydro-3aH-indeno[1,2-b]pyrrole-1-carboxylic acid
CID 118342117
tert-butyl 3-[[1-(4-fluorophenyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-2-oxo-4,8b-dihydro-3aH-indeno[1,2-b]pyrrole-1-carboxylate
CID 123758652
(5E)-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-9-thia-3-azatricyclo[6.3.0.02,6]undeca-1(8),10-dien-4-one
CID 90069200
(3E)-3-[[1-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-2-oxo-4,8b-dihydro-3aH-indeno[1,2-b]pyrrole-1-carboxylic acid
CID 118342037
(3Z)-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one
CID 70873306
tert-butyl 3-[[1-(2-fluorophenyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-2-oxo-4,8b-dihydro-3aH-indeno[1,2-b]pyrrole-1-carboxylate
CID 123928775
(3E)-3-[2-(4-methyl-5-oxo-2H-furan-2-yl)ethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one
CID 10902534

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[1-(methoxymethyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?
The IUPAC name of (3E)-3-[[1-(methoxymethyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one (CID 118350165) is (3E)-3-[[1-(methoxymethyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one.
What is the SMILES notation for (3E)-3-[[1-(methoxymethyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?
The canonical SMILES for (3E)-3-[[1-(methoxymethyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one is COCN1C(=O)C(C)=CC1O/C=C1/C(=O)NC2c3ccccc3CC12.
What is the InChIKey of (3E)-3-[[1-(methoxymethyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?
The InChIKey is JLGWWSKWAPGLSP-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-11-7-16(21(10-24-2)19(11)23)25-9-15-14-8-12-5-3-4-6-13(12)17(14)20-18(15)22/h3-7,9,14,16-17H,8,10H2,1-2H3,(H,20,22)/b15-9+.
What are the key properties of (3E)-3-[[1-(methoxymethyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?
(3E)-3-[[1-(methoxymethyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one has a molecular weight of 340.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[1-(methoxymethyl)-4-methyl-5-oxo-2H-pyrrol-2-yl]oxymethylidene]-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one is sourced from PubChem (CID 118350165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).