(2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one

C24H23NO2 — CID 158924615

IUPAC(2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one
SMILESCc1ccc2c(c1C1CCCCC1)O/C(=C\C1=NCc3ccccc31)C2=O
InChIInChI=1S/C24H23NO2/c1-15-11-12-19-23(26)21(13-20-18-10-6-5-9-17(18)14-25-20)27-24(19)22(15)16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3/b21-13-
InChIKeyLFZTYYGTAXKUHZ-BKUYFWCQSA-N
MW357.45 g/mol
LogP5.50
Rot. Bonds2

About (2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one

(2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one (PubChem CID 158924615) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one
PubChem CID158924615
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one
SMILESCc1ccc2c(c1C1CCCCC1)O/C(=C\C1=NCc3ccccc31)C2=O
InChIInChI=1S/C24H23NO2/c1-15-11-12-19-23(26)21(13-20-18-10-6-5-9-17(18)14-25-20)27-24(19)22(15)16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3/b21-13-
InChIKeyLFZTYYGTAXKUHZ-BKUYFWCQSA-N
XLogP5.50
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(3H-isoindol-1-ylmethylidene)-6-methyl-7-(3-methyl-3-piperidin-1-ylbut-1-ynyl)-1-benzofuran-3-one
CID 157135551
(2Z)-2-(3H-isoindol-1-ylmethylidene)-6-methyl-7-(3-piperidin-4-ylprop-1-ynyl)-1-benzofuran-3-one
CID 159412445
(2Z)-2-(3H-isoindol-1-ylmethylidene)-6-methyl-7-(3-piperazin-1-ylpropyl)-1-benzofuran-3-one
CID 162265265
(2Z)-6-hydroxy-2-(3H-isoindol-1-ylmethylidene)-7-(piperidine-1-carbonyl)-1-benzofuran-3-one
CID 157287132
(6Z)-6-(3H-isoindol-1-ylmethylidene)-4-(piperazin-1-ylmethyl)furo[3,2-f][1,3]benzodioxol-7-one
CID 159688642
ethane;3-[(E)-prop-1-enyl]-1H-isoindole
CID 157348217
(2Z)-6-hydroxy-2-[(2-methyl-3H-inden-1-yl)methylidene]-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one
CID 159758050
1-cyclohexyl-2-methyl-10H-phenoxazine
CID 91149715
(3E)-3-(cyclohexylmethylidene)isochromene-1,4-dione
CID 167530462
(2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124878656
7-methyl-2-oxatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-3-one
CID 135041311
3-methyl-1H-isoindole
CID 12518873

Frequently Asked Questions

What is the IUPAC name of (2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one?
The IUPAC name of (2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one (CID 158924615) is (2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one?
The canonical SMILES for (2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one is Cc1ccc2c(c1C1CCCCC1)O/C(=C\C1=NCc3ccccc31)C2=O.
What is the InChIKey of (2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one?
The InChIKey is LFZTYYGTAXKUHZ-BKUYFWCQSA-N. The full InChI is InChI=1S/C24H23NO2/c1-15-11-12-19-23(26)21(13-20-18-10-6-5-9-17(18)14-25-20)27-24(19)22(15)16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3/b21-13-.
What are the key properties of (2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one?
(2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one has a molecular weight of 357.45 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-7-cyclohexyl-2-(3H-isoindol-1-ylmethylidene)-6-methyl-1-benzofuran-3-one is sourced from PubChem (CID 158924615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).