(3E)-3-[(2Z)-2-(2-ethylcyclohexylidene)ethylidene]-7-methoxy-1H-indol-2-one

C19H23NO2 — CID 160966835

IUPAC(3E)-3-[(2Z)-2-(2-ethylcyclohexylidene)ethylidene]-7-methoxy-1H-indol-2-one
SMILESCCC1CCCC/C1=C/C=C1/C(=O)Nc2c(OC)cccc21
InChIInChI=1S/C19H23NO2/c1-3-13-7-4-5-8-14(13)11-12-16-15-9-6-10-17(22-2)18(15)20-19(16)21/h6,9-13H,3-5,7-8H2,1-2H3,(H,20,21)/b14-11-,16-12+
InChIKeyPHHZJSDYDPKCHR-ILYHAJGMSA-N
MW297.40 g/mol
LogP4.56
Rot. Bonds3

About (3E)-3-[(2Z)-2-(2-ethylcyclohexylidene)ethylidene]-7-methoxy-1H-indol-2-one

(3E)-3-[(2Z)-2-(2-ethylcyclohexylidene)ethylidene]-7-methoxy-1H-indol-2-one (PubChem CID 160966835) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3E)-3-[(2Z)-2-(2-ethylcyclohexylidene)ethylidene]-7-methoxy-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(2Z)-2-(2-ethylcyclohexylidene)ethylidene]-7-methoxy-1H-indol-2-one
PubChem CID160966835
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(3E)-3-[(2Z)-2-(2-ethylcyclohexylidene)ethylidene]-7-methoxy-1H-indol-2-one
SMILESCCC1CCCC/C1=C/C=C1/C(=O)Nc2c(OC)cccc21
InChIInChI=1S/C19H23NO2/c1-3-13-7-4-5-8-14(13)11-12-16-15-9-6-10-17(22-2)18(15)20-19(16)21/h6,9-13H,3-5,7-8H2,1-2H3,(H,20,21)/b14-11-,16-12+
InChIKeyPHHZJSDYDPKCHR-ILYHAJGMSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-Methoxy-4-methylquinolin-2(1H)-one
CID 782123
3-(2-Methoxy-benzylidene)-3H-indol-2-ol
CID 672251
7-methoxy-2,3-dihydro-1H-indole-2,3-dione
CID 4088910
N-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727459
3,3-bis(4-hydroxyphenyl)-7-methoxy-1H-indol-2-one
CID 44438758
(3E)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 744222
5-Methoxyoxindole
CID 1514286
Octadec-9-enoic acid (2-methoxy-6-methyl-phenyl)-amide
CID 44288647
2,2-Dimethyl-dodecanoic acid (2-methoxy-6-methyl-phenyl)-amide
CID 44288759
(3Z)-3-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-1H-indol-2-one
CID 122182250
(3E)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-7-methoxy-1H-indol-2-one
CID 168269096

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2Z)-2-(2-ethylcyclohexylidene)ethylidene]-7-methoxy-1H-indol-2-one?
The IUPAC name of (3E)-3-[(2Z)-2-(2-ethylcyclohexylidene)ethylidene]-7-methoxy-1H-indol-2-one (CID 160966835) is (3E)-3-[(2Z)-2-(2-ethylcyclohexylidene)ethylidene]-7-methoxy-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(2Z)-2-(2-ethylcyclohexylidene)ethylidene]-7-methoxy-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(2Z)-2-(2-ethylcyclohexylidene)ethylidene]-7-methoxy-1H-indol-2-one is CCC1CCCC/C1=C/C=C1/C(=O)Nc2c(OC)cccc21.
What is the InChIKey of (3E)-3-[(2Z)-2-(2-ethylcyclohexylidene)ethylidene]-7-methoxy-1H-indol-2-one?
The InChIKey is PHHZJSDYDPKCHR-ILYHAJGMSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-13-7-4-5-8-14(13)11-12-16-15-9-6-10-17(22-2)18(15)20-19(16)21/h6,9-13H,3-5,7-8H2,1-2H3,(H,20,21)/b14-11-,16-12+.
What are the key properties of (3E)-3-[(2Z)-2-(2-ethylcyclohexylidene)ethylidene]-7-methoxy-1H-indol-2-one?
(3E)-3-[(2Z)-2-(2-ethylcyclohexylidene)ethylidene]-7-methoxy-1H-indol-2-one has a molecular weight of 297.40 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2Z)-2-(2-ethylcyclohexylidene)ethylidene]-7-methoxy-1H-indol-2-one is sourced from PubChem (CID 160966835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).