(5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindol-4-one

C12H16N2O — CID 12826516

IUPAC(5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindol-4-one
SMILESCN(C)/C=C1\CCc2c(ccn2C)C1=O
InChIInChI=1S/C12H16N2O/c1-13(2)8-9-4-5-11-10(12(9)15)6-7-14(11)3/h6-8H,4-5H2,1-3H3/b9-8+
InChIKeyUWKOVEOPZGYLEA-CMDGGOBGSA-N
MW204.27 g/mol
LogP1.60
Rot. Bonds1

About (5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindol-4-one

(5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindol-4-one (PubChem CID 12826516) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindol-4-one.

Molecular Properties

Compound Name(5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindol-4-one
PubChem CID12826516
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindol-4-one
SMILESCN(C)/C=C1\CCc2c(ccn2C)C1=O
InChIInChI=1S/C12H16N2O/c1-13(2)8-9-4-5-11-10(12(9)15)6-7-14(11)3/h6-8H,4-5H2,1-3H3/b9-8+
InChIKeyUWKOVEOPZGYLEA-CMDGGOBGSA-N
XLogP1.60
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.60
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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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindol-4-one?
The IUPAC name of (5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindol-4-one (CID 12826516) is (5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindol-4-one.
What is the SMILES notation for (5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindol-4-one?
The canonical SMILES for (5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindol-4-one is CN(C)/C=C1\CCc2c(ccn2C)C1=O.
What is the InChIKey of (5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindol-4-one?
The InChIKey is UWKOVEOPZGYLEA-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H16N2O/c1-13(2)8-9-4-5-11-10(12(9)15)6-7-14(11)3/h6-8H,4-5H2,1-3H3/b9-8+.
What are the key properties of (5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindol-4-one?
(5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindol-4-one has a molecular weight of 204.27 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(dimethylaminomethylidene)-1-methyl-6,7-dihydroindol-4-one is sourced from PubChem (CID 12826516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).