(2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-2-cyanoacetamide

C15H15N3O2 — CID 2361091

IUPAC(2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-2-cyanoacetamide
SMILESCCCCN1C(=O)/C(=C(/C#N)C(N)=O)c2ccccc21
InChIInChI=1S/C15H15N3O2/c1-2-3-8-18-12-7-5-4-6-10(12)13(15(18)20)11(9-16)14(17)19/h4-7H,2-3,8H2,1H3,(H2,17,19)/b13-11-
InChIKeyWDZJTYHGYYRFOK-QBFSEMIESA-N
MW269.30 g/mol
LogP1.60
Rot. Bonds4

About (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-2-cyanoacetamide

(2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-2-cyanoacetamide (PubChem CID 2361091) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-2-cyanoacetamide.

Molecular Properties

Compound Name(2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-2-cyanoacetamide
PubChem CID2361091
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-2-cyanoacetamide
SMILESCCCCN1C(=O)/C(=C(/C#N)C(N)=O)c2ccccc21
InChIInChI=1S/C15H15N3O2/c1-2-3-8-18-12-7-5-4-6-10(12)13(15(18)20)11(9-16)14(17)19/h4-7H,2-3,8H2,1H3,(H2,17,19)/b13-11-
InChIKeyWDZJTYHGYYRFOK-QBFSEMIESA-N
XLogP1.60
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
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)-2-cyanoacetamide?
The IUPAC name of (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-2-cyanoacetamide (CID 2361091) is (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-2-cyanoacetamide.
What is the SMILES notation for (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-2-cyanoacetamide?
The canonical SMILES for (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-2-cyanoacetamide is CCCCN1C(=O)/C(=C(/C#N)C(N)=O)c2ccccc21.
What is the InChIKey of (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-2-cyanoacetamide?
The InChIKey is WDZJTYHGYYRFOK-QBFSEMIESA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-3-8-18-12-7-5-4-6-10(12)13(15(18)20)11(9-16)14(17)19/h4-7H,2-3,8H2,1H3,(H2,17,19)/b13-11-.
What are the key properties of (2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-2-cyanoacetamide?
(2Z)-2-(1-butyl-2-oxoindol-3-ylidene)-2-cyanoacetamide has a molecular weight of 269.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 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)-2-cyanoacetamide is sourced from PubChem (CID 2361091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).