5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one

C18H18N2O2 — CID 57324222

IUPAC5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(=Cc1cc3c([nH]1)CCCC3)C(=O)N2
InChIInChI=1S/C18H18N2O2/c1-22-13-6-7-17-14(10-13)15(18(21)20-17)9-12-8-11-4-2-3-5-16(11)19-12/h6-10,19H,2-5H2,1H3,(H,20,21)
InChIKeyNJAYBLLXJGHMSQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.39
Rot. Bonds2

About 5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one

5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 57324222) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
PubChem CID57324222
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(=Cc1cc3c([nH]1)CCCC3)C(=O)N2
InChIInChI=1S/C18H18N2O2/c1-22-13-6-7-17-14(10-13)15(18(21)20-17)9-12-8-11-4-2-3-5-16(11)19-12/h6-10,19H,2-5H2,1H3,(H,20,21)
InChIKeyNJAYBLLXJGHMSQ-UHFFFAOYSA-N
XLogP3.39
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indole-5-carboxylic acid
CID 177410652
5-nitro-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
CID 57167088
N,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indole-5-sulfonamide
CID 5309
6-hydroxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
CID 54408582
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
(3E)-3-[(5-dimethylphosphoryl-1H-pyrrol-2-yl)methylidene]-5-methoxy-1H-indol-2-one
CID 23398037
(3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one
CID 71155184
(3Z)-3-[(2-tert-butyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one
CID 71155147
3-[2-[(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid
CID 68791797
(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
CID 118714393
(3Z)-5-(2-piperidin-4-yl-1,3-thiazol-4-yl)-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;hydrochloride
CID 127036917
5-methoxy-3-[[2-(oxan-4-yl)-1H-imidazol-5-yl]methylidene]-1H-indol-2-one
CID 78015916

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of 5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one (CID 57324222) is 5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for 5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for 5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one is COc1ccc2c(c1)C(=Cc1cc3c([nH]1)CCCC3)C(=O)N2.
What is the InChIKey of 5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is NJAYBLLXJGHMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-13-6-7-17-14(10-13)15(18(21)20-17)9-12-8-11-4-2-3-5-16(11)19-12/h6-10,19H,2-5H2,1H3,(H,20,21).
What are the key properties of 5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one?
5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 57324222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).