(3Z)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one

C19H18N2O — CID 5427216

IUPAC(3Z)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H18N2O/c22-19-17(16-5-1-2-6-18(16)20-19)13-14-7-9-15(10-8-14)21-11-3-4-12-21/h1-2,5-10,13H,3-4,11-12H2,(H,20,22)/b17-13-
InChIKeyGPIVAXYAJQADBC-LGMDPLHJSA-N
MW290.37 g/mol
LogP3.78
Rot. Bonds2

About (3Z)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one

(3Z)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one (PubChem CID 5427216) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (3Z)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one
PubChem CID5427216
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(3Z)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H18N2O/c22-19-17(16-5-1-2-6-18(16)20-19)13-14-7-9-15(10-8-14)21-11-3-4-12-21/h1-2,5-10,13H,3-4,11-12H2,(H,20,22)/b17-13-
InChIKeyGPIVAXYAJQADBC-LGMDPLHJSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one (CID 5427216) is (3Z)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1ccc(N2CCCC2)cc1.
What is the InChIKey of (3Z)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one?
The InChIKey is GPIVAXYAJQADBC-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H18N2O/c22-19-17(16-5-1-2-6-18(16)20-19)13-14-7-9-15(10-8-14)21-11-3-4-12-21/h1-2,5-10,13H,3-4,11-12H2,(H,20,22)/b17-13-.
What are the key properties of (3Z)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one?
(3Z)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one has a molecular weight of 290.37 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 5427216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).