(3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one

C12H10N2O2 — CID 10353181

IUPAC(3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one
SMILESO=C1NCC/C1=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C12H10N2O2/c15-11-8(5-6-13-11)10-7-3-1-2-4-9(7)14-12(10)16/h1-4H,5-6H2,(H,13,15)(H,14,16)/b10-8-
InChIKeySKBABODTNCJGJV-NTMALXAHSA-N
MW214.22 g/mol
LogP0.91
Rot. Bonds

About (3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one

(3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one (PubChem CID 10353181) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is (3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one
PubChem CID10353181
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name(3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one
SMILESO=C1NCC/C1=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C12H10N2O2/c15-11-8(5-6-13-11)10-7-3-1-2-4-9(7)14-12(10)16/h1-4H,5-6H2,(H,13,15)(H,14,16)/b10-8-
InChIKeySKBABODTNCJGJV-NTMALXAHSA-N
XLogP0.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one
CID 148819024
2,10-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-9-one
CID 11118116
(3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one
CID 10199133
(3E)-3-(5-tert-butyl-2-oxocyclohexylidene)-1H-indol-2-one
CID 6166068
(3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one
CID 58657963
copper;1H-indole-2,3-dione
CID 70626411
2,3-dihydro-1H-quinolin-4-one;ethane
CID 91530065
1H-quinoline-2,3,4-trione;hydrate
CID 91665944
3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]imidazolidine-2,4-dione
CID 135956380
(3E)-3-[(3S)-3-(dimethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 71268355
11H-benzo[c][1,5]benzothiazocine-6,12-dione
CID 134879076
(3E)-3-(6-methyl-2-oxo-3-propan-2-ylcyclohexylidene)-1H-indol-2-one
CID 25149191

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one (CID 10353181) is (3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one is O=C1NCC/C1=C1/C(=O)Nc2ccccc21.
What is the InChIKey of (3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one?
The InChIKey is SKBABODTNCJGJV-NTMALXAHSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-11-8(5-6-13-11)10-7-3-1-2-4-9(7)14-12(10)16/h1-4H,5-6H2,(H,13,15)(H,14,16)/b10-8-.
What are the key properties of (3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one?
(3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one has a molecular weight of 214.22 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one is sourced from PubChem (CID 10353181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).