(3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one

C12H14N2O — CID 22154428

IUPAC(3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one
SMILESC/C(=C1\C(=O)Nc2ccccc21)N(C)C
InChIInChI=1S/C12H14N2O/c1-8(14(2)3)11-9-6-4-5-7-10(9)13-12(11)15/h4-7H,1-3H3,(H,13,15)/b11-8+
InChIKeyKFRVPIVORKPRNZ-DHZHZOJOSA-N
MW202.26 g/mol
LogP1.93
Rot. Bonds1

About (3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one

(3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one (PubChem CID 22154428) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one
PubChem CID22154428
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one
SMILESC/C(=C1\C(=O)Nc2ccccc21)N(C)C
InChIInChI=1S/C12H14N2O/c1-8(14(2)3)11-9-6-4-5-7-10(9)13-12(11)15/h4-7H,1-3H3,(H,13,15)/b11-8+
InChIKeyKFRVPIVORKPRNZ-DHZHZOJOSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one (CID 22154428) is (3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one is C/C(=C1\C(=O)Nc2ccccc21)N(C)C.
What is the InChIKey of (3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one?
The InChIKey is KFRVPIVORKPRNZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(14(2)3)11-9-6-4-5-7-10(9)13-12(11)15/h4-7H,1-3H3,(H,13,15)/b11-8+.
What are the key properties of (3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one?
(3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one has a molecular weight of 202.26 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[1-(dimethylamino)ethylidene]-1H-indol-2-one is sourced from PubChem (CID 22154428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).