(3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one

C19H20NO2P — CID 59079615

IUPAC(3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one
SMILESCc1ccc(/C=C2\C(=O)Nc3cc(CP(C)(C)=O)ccc32)cc1
InChIInChI=1S/C19H20NO2P/c1-13-4-6-14(7-5-13)10-17-16-9-8-15(12-23(2,3)22)11-18(16)20-19(17)21/h4-11H,12H2,1-3H3,(H,20,21)/b17-10-
InChIKeyAVIQAYQWMZIJPI-YVLHZVERSA-N
MW325.35 g/mol
LogP4.61
Rot. Bonds3

About (3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one

(3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one (PubChem CID 59079615) has the molecular formula C19H20NO2P and a molecular weight of 325.35 g/mol. Its IUPAC name is (3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one
PubChem CID59079615
Molecular FormulaC19H20NO2P
Molecular Weight325.35 g/mol
Exact Mass325.12
IUPAC Name(3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one
SMILESCc1ccc(/C=C2\C(=O)Nc3cc(CP(C)(C)=O)ccc32)cc1
InChIInChI=1S/C19H20NO2P/c1-13-4-6-14(7-5-13)10-17-16-9-8-15(12-23(2,3)22)11-18(16)20-19(17)21/h4-11H,12H2,1-3H3,(H,20,21)/b17-10-
InChIKeyAVIQAYQWMZIJPI-YVLHZVERSA-N
XLogP4.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

3-benzylidene-6-methyl-1H-indol-2-one
CID 71248660
5,6-bis(hydroxymethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one
CID 164993984
(3Z)-5-bromo-3-[(4-methylphenyl)methylidene]-1H-indol-2-one
CID 6923929
(3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 92958265
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
(3Z)-3-[(3-dimethylphosphoryl-4-methylphenyl)methylidene]-6-phenyl-1H-indol-2-one
CID 59079665
(3E)-5-bromo-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 756584
(3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 23398029
(3Z)-3-[[3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1H-indol-2-one
CID 126126515
4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde
CID 90683183
6-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66632701
(3Z)-3-benzylidene-6-chloro-1H-indol-2-one
CID 962904

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one (CID 59079615) is (3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one is Cc1ccc(/C=C2\C(=O)Nc3cc(CP(C)(C)=O)ccc32)cc1.
What is the InChIKey of (3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one?
The InChIKey is AVIQAYQWMZIJPI-YVLHZVERSA-N. The full InChI is InChI=1S/C19H20NO2P/c1-13-4-6-14(7-5-13)10-17-16-9-8-15(12-23(2,3)22)11-18(16)20-19(17)21/h4-11H,12H2,1-3H3,(H,20,21)/b17-10-.
What are the key properties of (3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one?
(3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one has a molecular weight of 325.35 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-(dimethylphosphorylmethyl)-3-[(4-methylphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 59079615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).