(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one

C19H12N2O3 — CID 5378858

IUPAC(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
SMILESO=C(/C=C1\C(=O)Nc2ccccc21)/C=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C19H12N2O3/c22-11(9-14-12-5-1-3-7-16(12)20-18(14)23)10-15-13-6-2-4-8-17(13)21-19(15)24/h1-10H,(H,20,23)(H,21,24)/b14-9-,15-10-
InChIKeyVBCWZUFGYNWZTE-TYPNBTCFSA-N
MW316.32 g/mol
LogP2.63
Rot. Bonds2

About (3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one

(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one (PubChem CID 5378858) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is (3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
PubChem CID5378858
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
SMILESO=C(/C=C1\C(=O)Nc2ccccc21)/C=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C19H12N2O3/c22-11(9-14-12-5-1-3-7-16(12)20-18(14)23)10-15-13-6-2-4-8-17(13)21-19(15)24/h1-10H,(H,20,23)(H,21,24)/b14-9-,15-10-
InChIKeyVBCWZUFGYNWZTE-TYPNBTCFSA-N
XLogP2.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one (CID 5378858) is (3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one is O=C(/C=C1\C(=O)Nc2ccccc21)/C=C1\C(=O)Nc2ccccc21.
What is the InChIKey of (3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one?
The InChIKey is VBCWZUFGYNWZTE-TYPNBTCFSA-N. The full InChI is InChI=1S/C19H12N2O3/c22-11(9-14-12-5-1-3-7-16(12)20-18(14)23)10-15-13-6-2-4-8-17(13)21-19(15)24/h1-10H,(H,20,23)(H,21,24)/b14-9-,15-10-.
What are the key properties of (3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one?
(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one has a molecular weight of 316.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one is sourced from PubChem (CID 5378858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).