(3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one

C17H16N2O2 — CID 163662851

IUPAC(3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one
SMILESC=CC1/C(=C2\C(=O)Nc3ccccc32)C(=O)N(C)C1C=C
InChIInChI=1S/C17H16N2O2/c1-4-10-13(5-2)19(3)17(21)15(10)14-11-8-6-7-9-12(11)18-16(14)20/h4-10,13H,1-2H2,3H3,(H,18,20)/b15-14+
InChIKeyIVVZFAXYBBBINS-CCEZHUSRSA-N
MW280.33 g/mol
LogP2.22
Rot. Bonds2

About (3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one

(3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one (PubChem CID 163662851) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one
PubChem CID163662851
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one
SMILESC=CC1/C(=C2\C(=O)Nc3ccccc32)C(=O)N(C)C1C=C
InChIInChI=1S/C17H16N2O2/c1-4-10-13(5-2)19(3)17(21)15(10)14-11-8-6-7-9-12(11)18-16(14)20/h4-10,13H,1-2H2,3H3,(H,18,20)/b15-14+
InChIKeyIVVZFAXYBBBINS-CCEZHUSRSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one (CID 163662851) is (3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one is C=CC1/C(=C2\C(=O)Nc3ccccc32)C(=O)N(C)C1C=C.
What is the InChIKey of (3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one?
The InChIKey is IVVZFAXYBBBINS-CCEZHUSRSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-4-10-13(5-2)19(3)17(21)15(10)14-11-8-6-7-9-12(11)18-16(14)20/h4-10,13H,1-2H2,3H3,(H,18,20)/b15-14+.
What are the key properties of (3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one?
(3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[4,5-bis(ethenyl)-1-methyl-2-oxopyrrolidin-3-ylidene]-1H-indol-2-one is sourced from PubChem (CID 163662851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).