2-[[2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile

C23H16N2O2 — CID 126121074

IUPAC2-[[2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile
SMILESN#Cc1ccccc1COc1ccccc1/C=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C23H16N2O2/c24-14-17-8-1-2-9-18(17)15-27-22-12-6-3-7-16(22)13-20-19-10-4-5-11-21(19)25-23(20)26/h1-13H,15H2,(H,25,26)/b20-13-
InChIKeyQBDNVAZVXNXTLI-MOSHPQCFSA-N
MW352.39 g/mol
LogP4.63
Rot. Bonds4

About 2-[[2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile

2-[[2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile (PubChem CID 126121074) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[[2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile
PubChem CID126121074
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name2-[[2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile
SMILESN#Cc1ccccc1COc1ccccc1/C=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C23H16N2O2/c24-14-17-8-1-2-9-18(17)15-27-22-12-6-3-7-16(22)13-20-19-10-4-5-11-21(19)25-23(20)26/h1-13H,15H2,(H,25,26)/b20-13-
InChIKeyQBDNVAZVXNXTLI-MOSHPQCFSA-N
XLogP4.63
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.63
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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Related Compounds

2-[[2-bromo-4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile
CID 21370036
2-[[5-bromo-2-methoxy-4-[(Z)-[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenoxy]methyl]benzonitrile
CID 124541027
2-[[2-ethoxy-4-[(E)-[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenoxy]methyl]benzonitrile
CID 21374013
5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 4679336
2-[[2-[(Z)-[1-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzonitrile
CID 5433800
(3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 1224641
2-[[2,6-dichloro-4-[(Z)-[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenoxy]methyl]benzonitrile
CID 126114158
6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 4058783
2-[[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-methoxyphenoxy]methyl]benzonitrile
CID 124552403
2-[[2-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzonitrile
CID 6242789
(3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one
CID 47102912
2-[[4-bromo-2-[(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile
CID 124533002

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile?
The IUPAC name of 2-[[2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile (CID 126121074) is 2-[[2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile?
The canonical SMILES for 2-[[2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile is N#Cc1ccccc1COc1ccccc1/C=C1\C(=O)Nc2ccccc21.
What is the InChIKey of 2-[[2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile?
The InChIKey is QBDNVAZVXNXTLI-MOSHPQCFSA-N. The full InChI is InChI=1S/C23H16N2O2/c24-14-17-8-1-2-9-18(17)15-27-22-12-6-3-7-16(22)13-20-19-10-4-5-11-21(19)25-23(20)26/h1-13H,15H2,(H,25,26)/b20-13-.
What are the key properties of 2-[[2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile?
2-[[2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile has a molecular weight of 352.39 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]methyl]benzonitrile is sourced from PubChem (CID 126121074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).