(3Z)-3-[(E)-3-(4-aminophenyl)prop-2-enylidene]-1H-indol-2-one

C17H14N2O — CID 122182266

IUPAC(3Z)-3-[(E)-3-(4-aminophenyl)prop-2-enylidene]-1H-indol-2-one
SMILESNc1ccc(/C=C/C=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H14N2O/c18-13-10-8-12(9-11-13)4-3-6-15-14-5-1-2-7-16(14)19-17(15)20/h1-11H,18H2,(H,19,20)/b4-3+,15-6-
InChIKeyCKGUJEHCLFSIPS-FLUHZAPOSA-N
MW262.31 g/mol
LogP3.32
Rot. Bonds2

About (3Z)-3-[(E)-3-(4-aminophenyl)prop-2-enylidene]-1H-indol-2-one

(3Z)-3-[(E)-3-(4-aminophenyl)prop-2-enylidene]-1H-indol-2-one (PubChem CID 122182266) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (3Z)-3-[(E)-3-(4-aminophenyl)prop-2-enylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(E)-3-(4-aminophenyl)prop-2-enylidene]-1H-indol-2-one
PubChem CID122182266
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(3Z)-3-[(E)-3-(4-aminophenyl)prop-2-enylidene]-1H-indol-2-one
SMILESNc1ccc(/C=C/C=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H14N2O/c18-13-10-8-12(9-11-13)4-3-6-15-14-5-1-2-7-16(14)19-17(15)20/h1-11H,18H2,(H,19,20)/b4-3+,15-6-
InChIKeyCKGUJEHCLFSIPS-FLUHZAPOSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-3-(4-aminophenyl)prop-2-enylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(E)-3-(4-aminophenyl)prop-2-enylidene]-1H-indol-2-one (CID 122182266) is (3Z)-3-[(E)-3-(4-aminophenyl)prop-2-enylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(E)-3-(4-aminophenyl)prop-2-enylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(E)-3-(4-aminophenyl)prop-2-enylidene]-1H-indol-2-one is Nc1ccc(/C=C/C=C2\C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (3Z)-3-[(E)-3-(4-aminophenyl)prop-2-enylidene]-1H-indol-2-one?
The InChIKey is CKGUJEHCLFSIPS-FLUHZAPOSA-N. The full InChI is InChI=1S/C17H14N2O/c18-13-10-8-12(9-11-13)4-3-6-15-14-5-1-2-7-16(14)19-17(15)20/h1-11H,18H2,(H,19,20)/b4-3+,15-6-.
What are the key properties of (3Z)-3-[(E)-3-(4-aminophenyl)prop-2-enylidene]-1H-indol-2-one?
(3Z)-3-[(E)-3-(4-aminophenyl)prop-2-enylidene]-1H-indol-2-one has a molecular weight of 262.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-3-(4-aminophenyl)prop-2-enylidene]-1H-indol-2-one is sourced from PubChem (CID 122182266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).