(2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile

C19H21N3O2 — CID 2382329

IUPAC(2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile
SMILESCCCCN1C(=O)/C(=C(/C#N)C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C19H21N3O2/c1-2-3-12-22-16-9-5-4-8-14(16)17(19(22)24)15(13-20)18(23)21-10-6-7-11-21/h4-5,8-9H,2-3,6-7,10-12H2,1H3/b17-15-
InChIKeyZFJAMAVOYIQGBY-ICFOKQHNSA-N
MW323.40 g/mol
LogP2.73
Rot. Bonds4

About (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile

(2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile (PubChem CID 2382329) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile.

Molecular Properties

Compound Name(2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile
PubChem CID2382329
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile
SMILESCCCCN1C(=O)/C(=C(/C#N)C(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C19H21N3O2/c1-2-3-12-22-16-9-5-4-8-14(16)17(19(22)24)15(13-20)18(23)21-10-6-7-11-21/h4-5,8-9H,2-3,6-7,10-12H2,1H3/b17-15-
InChIKeyZFJAMAVOYIQGBY-ICFOKQHNSA-N
XLogP2.73
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
The IUPAC name of (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile (CID 2382329) is (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile.
What is the SMILES notation for (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
The canonical SMILES for (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile is CCCCN1C(=O)/C(=C(/C#N)C(=O)N2CCCC2)c2ccccc21.
What is the InChIKey of (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
The InChIKey is ZFJAMAVOYIQGBY-ICFOKQHNSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-3-12-22-16-9-5-4-8-14(16)17(19(22)24)15(13-20)18(23)21-10-6-7-11-21/h4-5,8-9H,2-3,6-7,10-12H2,1H3/b17-15-.
What are the key properties of (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
(2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile has a molecular weight of 323.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-3-oxo-3-pyrrolidin-1-ylpropanenitrile is sourced from PubChem (CID 2382329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).