(3Z)-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one

C21H24N2O2 — CID 71457709

IUPAC(3Z)-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one
SMILESCCN(CC)CCOc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H24N2O2/c1-3-23(4-2)13-14-25-17-11-9-16(10-12-17)15-19-18-7-5-6-8-20(18)22-21(19)24/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,24)/b19-15-
InChIKeyTUKRJGPLJDYSQE-CYVLTUHYSA-N
MW336.44 g/mol
LogP3.90
Rot. Bonds7

About (3Z)-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one

(3Z)-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one (PubChem CID 71457709) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3Z)-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one
PubChem CID71457709
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(3Z)-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one
SMILESCCN(CC)CCOc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C21H24N2O2/c1-3-23(4-2)13-14-25-17-11-9-16(10-12-17)15-19-18-7-5-6-8-20(18)22-21(19)24/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,24)/b19-15-
InChIKeyTUKRJGPLJDYSQE-CYVLTUHYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one (CID 71457709) is (3Z)-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one is CCN(CC)CCOc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1.
What is the InChIKey of (3Z)-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one?
The InChIKey is TUKRJGPLJDYSQE-CYVLTUHYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-23(4-2)13-14-25-17-11-9-16(10-12-17)15-19-18-7-5-6-8-20(18)22-21(19)24/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,24)/b19-15-.
What are the key properties of (3Z)-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one?
(3Z)-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one has a molecular weight of 336.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 71457709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).