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

C11H9NO2 — CID 725903

IUPAC(3E)-3-(2-oxopropylidene)-1H-indol-2-one
SMILESCC(=O)/C=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C11H9NO2/c1-7(13)6-9-8-4-2-3-5-10(8)12-11(9)14/h2-6H,1H3,(H,12,14)/b9-6+
InChIKeyAQPYUQKKKCLZAT-RMKNXTFCSA-N
MW187.20 g/mol
LogP1.61
Rot. Bonds1

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

(3E)-3-(2-oxopropylidene)-1H-indol-2-one (PubChem CID 725903) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is (3E)-3-(2-oxopropylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-(2-oxopropylidene)-1H-indol-2-one
PubChem CID725903
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name(3E)-3-(2-oxopropylidene)-1H-indol-2-one
SMILESCC(=O)/C=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C11H9NO2/c1-7(13)6-9-8-4-2-3-5-10(8)12-11(9)14/h2-6H,1H3,(H,12,14)/b9-6+
InChIKeyAQPYUQKKKCLZAT-RMKNXTFCSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.61
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-(2-oxopropylidene)-1H-indol-2-one?
The IUPAC name of (3E)-3-(2-oxopropylidene)-1H-indol-2-one (CID 725903) is (3E)-3-(2-oxopropylidene)-1H-indol-2-one.
What is the SMILES notation for (3E)-3-(2-oxopropylidene)-1H-indol-2-one?
The canonical SMILES for (3E)-3-(2-oxopropylidene)-1H-indol-2-one is CC(=O)/C=C1/C(=O)Nc2ccccc21.
What is the InChIKey of (3E)-3-(2-oxopropylidene)-1H-indol-2-one?
The InChIKey is AQPYUQKKKCLZAT-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H9NO2/c1-7(13)6-9-8-4-2-3-5-10(8)12-11(9)14/h2-6H,1H3,(H,12,14)/b9-6+.
What are the key properties of (3E)-3-(2-oxopropylidene)-1H-indol-2-one?
(3E)-3-(2-oxopropylidene)-1H-indol-2-one has a molecular weight of 187.20 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-oxopropylidene)-1H-indol-2-one is sourced from PubChem (CID 725903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).