(2E)-2-(dimethylaminomethylidene)-1H-indol-3-one

C11H12N2O — CID 664055

IUPAC(2E)-2-(dimethylaminomethylidene)-1H-indol-3-one
SMILESCN(C)/C=C1/Nc2ccccc2C1=O
InChIInChI=1S/C11H12N2O/c1-13(2)7-10-11(14)8-5-3-4-6-9(8)12-10/h3-7,12H,1-2H3/b10-7+
InChIKeyJBUIWRKRAAXHNB-JXMROGBWSA-N
MW188.23 g/mol
LogP1.70
Rot. Bonds1

About (2E)-2-(dimethylaminomethylidene)-1H-indol-3-one

(2E)-2-(dimethylaminomethylidene)-1H-indol-3-one (PubChem CID 664055) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (2E)-2-(dimethylaminomethylidene)-1H-indol-3-one.

Molecular Properties

Compound Name(2E)-2-(dimethylaminomethylidene)-1H-indol-3-one
PubChem CID664055
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(2E)-2-(dimethylaminomethylidene)-1H-indol-3-one
SMILESCN(C)/C=C1/Nc2ccccc2C1=O
InChIInChI=1S/C11H12N2O/c1-13(2)7-10-11(14)8-5-3-4-6-9(8)12-10/h3-7,12H,1-2H3/b10-7+
InChIKeyJBUIWRKRAAXHNB-JXMROGBWSA-N
XLogP1.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_E(44)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(dimethylaminomethylidene)-1H-indol-3-one?
The IUPAC name of (2E)-2-(dimethylaminomethylidene)-1H-indol-3-one (CID 664055) is (2E)-2-(dimethylaminomethylidene)-1H-indol-3-one.
What is the SMILES notation for (2E)-2-(dimethylaminomethylidene)-1H-indol-3-one?
The canonical SMILES for (2E)-2-(dimethylaminomethylidene)-1H-indol-3-one is CN(C)/C=C1/Nc2ccccc2C1=O.
What is the InChIKey of (2E)-2-(dimethylaminomethylidene)-1H-indol-3-one?
The InChIKey is JBUIWRKRAAXHNB-JXMROGBWSA-N. The full InChI is InChI=1S/C11H12N2O/c1-13(2)7-10-11(14)8-5-3-4-6-9(8)12-10/h3-7,12H,1-2H3/b10-7+.
What are the key properties of (2E)-2-(dimethylaminomethylidene)-1H-indol-3-one?
(2E)-2-(dimethylaminomethylidene)-1H-indol-3-one has a molecular weight of 188.23 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(dimethylaminomethylidene)-1H-indol-3-one is sourced from PubChem (CID 664055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).