(3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one

C19H16N2O2 — CID 45028054

IUPAC(3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one
SMILESCOc1cc2c(cc1C)NC(=O)/C2=C\c1c[nH]c2ccccc12
InChIInChI=1S/C19H16N2O2/c1-11-7-17-14(9-18(11)23-2)15(19(22)21-17)8-12-10-20-16-6-4-3-5-13(12)16/h3-10,20H,1-2H3,(H,21,22)/b15-8-
InChIKeyDJZCQLOTDSVFMB-NVNXTCNLSA-N
MW304.35 g/mol
LogP3.98
Rot. Bonds2

About (3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one

(3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one (PubChem CID 45028054) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one
PubChem CID45028054
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one
SMILESCOc1cc2c(cc1C)NC(=O)/C2=C\c1c[nH]c2ccccc12
InChIInChI=1S/C19H16N2O2/c1-11-7-17-14(9-18(11)23-2)15(19(22)21-17)8-12-10-20-16-6-4-3-5-13(12)16/h3-10,20H,1-2H3,(H,21,22)/b15-8-
InChIKeyDJZCQLOTDSVFMB-NVNXTCNLSA-N
XLogP3.98
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one
CID 46901563
(3E)-3-(1H-indol-3-ylmethylidene)-5-methyl-1H-indol-2-one
CID 112979063
(3E)-5-hydroxy-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 69454677
(3E)-5-methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one
CID 5473201
(3E)-3-[(2,5-dimethoxy-4-methylphenyl)methylidene]-1H-indol-2-one
CID 112979013
5-amino-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 54071519
5,7-dibromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 57043328
(3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 58923919
3-[(2-hydroxy-5-methylphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 3794321
(3Z)-3-[(5-bromo-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 2356796
(3E)-3-(1H-indol-4-ylmethylidene)-6-(3-methoxyphenyl)-1H-indol-2-one
CID 58662740
3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one
CID 54364444

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one?
The IUPAC name of (3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one (CID 45028054) is (3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one?
The canonical SMILES for (3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one is COc1cc2c(cc1C)NC(=O)/C2=C\c1c[nH]c2ccccc12.
What is the InChIKey of (3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one?
The InChIKey is DJZCQLOTDSVFMB-NVNXTCNLSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-11-7-17-14(9-18(11)23-2)15(19(22)21-17)8-12-10-20-16-6-4-3-5-13(12)16/h3-10,20H,1-2H3,(H,21,22)/b15-8-.
What are the key properties of (3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one?
(3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one has a molecular weight of 304.35 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one is sourced from PubChem (CID 45028054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).