(3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde

C19H18NO2P — CID 143823107

IUPAC(3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde
SMILESCPCc1ccc(/C=C2/C(=O)Nc3cc(C=O)ccc32)cc1C
InChIInChI=1S/C19H18NO2P/c1-12-7-13(3-5-15(12)11-23-2)8-17-16-6-4-14(10-21)9-18(16)20-19(17)22/h3-10,23H,11H2,1-2H3,(H,20,22)/b17-8+
InChIKeyFWNSXIYAKZJEJL-CAOOACKPSA-N
MW323.33 g/mol
LogP4.11
Rot. Bonds4

About (3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde

(3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde (PubChem CID 143823107) has the molecular formula C19H18NO2P and a molecular weight of 323.33 g/mol. Its IUPAC name is (3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde.

Molecular Properties

Compound Name(3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde
PubChem CID143823107
Molecular FormulaC19H18NO2P
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name(3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde
SMILESCPCc1ccc(/C=C2/C(=O)Nc3cc(C=O)ccc32)cc1C
InChIInChI=1S/C19H18NO2P/c1-12-7-13(3-5-15(12)11-23-2)8-17-16-6-4-14(10-21)9-18(16)20-19(17)22/h3-10,23H,11H2,1-2H3,(H,20,22)/b17-8+
InChIKeyFWNSXIYAKZJEJL-CAOOACKPSA-N
XLogP4.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-6-chloro-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-1H-indol-2-one
CID 143823079
4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde
CID 90683183
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998
5,6-bis(hydroxymethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one
CID 164993984
3-benzylidene-6-methyl-1H-indol-2-one
CID 71248660
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-6-chloro-1H-indol-2-one
CID 2487183
(3E)-3-[(3,4-dimethylphenyl)methylidene]-2-oxo-1H-indole-5-sulfonamide
CID 94468994
(3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one
CID 59079615
(3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one
CID 86620116
4-(bromomethyl)-3-methylbenzaldehyde
CID 134217544
(3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one
CID 59079665
(3E)-6-chloro-3-[(4-methyl-3-nitrophenyl)methylidene]-5-nitro-1H-indol-2-one
CID 43071469

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde?
The IUPAC name of (3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde (CID 143823107) is (3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde.
What is the SMILES notation for (3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde?
The canonical SMILES for (3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde is CPCc1ccc(/C=C2/C(=O)Nc3cc(C=O)ccc32)cc1C.
What is the InChIKey of (3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde?
The InChIKey is FWNSXIYAKZJEJL-CAOOACKPSA-N. The full InChI is InChI=1S/C19H18NO2P/c1-12-7-13(3-5-15(12)11-23-2)8-17-16-6-4-14(10-21)9-18(16)20-19(17)22/h3-10,23H,11H2,1-2H3,(H,20,22)/b17-8+.
What are the key properties of (3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde?
(3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde has a molecular weight of 323.33 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[3-methyl-4-(methylphosphanylmethyl)phenyl]methylidene]-2-oxo-1H-indole-6-carbaldehyde is sourced from PubChem (CID 143823107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).