N-[(E)-(3-cyano-4-oxoindeno[1,2-b]pyrrol-2-ylidene)amino]acetamide

C14H8N4O2 — CID 24828941

IUPACN-[(E)-(3-cyano-4-oxoindeno[1,2-b]pyrrol-2-ylidene)amino]acetamide
SMILESCC(=O)N/N=c1/nc2c3ccccc3c(=O)c-2c1C#N
InChIInChI=1S/C14H8N4O2/c1-7(19)17-18-14-10(6-15)11-12(16-14)8-4-2-3-5-9(8)13(11)20/h2-5H,1H3,(H,17,19)/b18-14+
InChIKeyOKCHMCUAKCIZLV-NBVRZTHBSA-N
MW264.24 g/mol
LogP0.40
Rot. Bonds1

About N-[(E)-(3-cyano-4-oxoindeno[1,2-b]pyrrol-2-ylidene)amino]acetamide

N-[(E)-(3-cyano-4-oxoindeno[1,2-b]pyrrol-2-ylidene)amino]acetamide (PubChem CID 24828941) has the molecular formula C14H8N4O2 and a molecular weight of 264.24 g/mol. Its IUPAC name is N-[(E)-(3-cyano-4-oxoindeno[1,2-b]pyrrol-2-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(3-cyano-4-oxoindeno[1,2-b]pyrrol-2-ylidene)amino]acetamide
PubChem CID24828941
Molecular FormulaC14H8N4O2
Molecular Weight264.24 g/mol
Exact Mass264.06
IUPAC NameN-[(E)-(3-cyano-4-oxoindeno[1,2-b]pyrrol-2-ylidene)amino]acetamide
SMILESCC(=O)N/N=c1/nc2c3ccccc3c(=O)c-2c1C#N
InChIInChI=1S/C14H8N4O2/c1-7(19)17-18-14-10(6-15)11-12(16-14)8-4-2-3-5-9(8)13(11)20/h2-5H,1H3,(H,17,19)/b18-14+
InChIKeyOKCHMCUAKCIZLV-NBVRZTHBSA-N
XLogP0.40
TPSA95.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-cyano-4-oxoindeno[1,2-b]pyrrol-2-ylidene)amino]acetamide?
The IUPAC name of N-[(E)-(3-cyano-4-oxoindeno[1,2-b]pyrrol-2-ylidene)amino]acetamide (CID 24828941) is N-[(E)-(3-cyano-4-oxoindeno[1,2-b]pyrrol-2-ylidene)amino]acetamide.
What is the SMILES notation for N-[(E)-(3-cyano-4-oxoindeno[1,2-b]pyrrol-2-ylidene)amino]acetamide?
The canonical SMILES for N-[(E)-(3-cyano-4-oxoindeno[1,2-b]pyrrol-2-ylidene)amino]acetamide is CC(=O)N/N=c1/nc2c3ccccc3c(=O)c-2c1C#N.
What is the InChIKey of N-[(E)-(3-cyano-4-oxoindeno[1,2-b]pyrrol-2-ylidene)amino]acetamide?
The InChIKey is OKCHMCUAKCIZLV-NBVRZTHBSA-N. The full InChI is InChI=1S/C14H8N4O2/c1-7(19)17-18-14-10(6-15)11-12(16-14)8-4-2-3-5-9(8)13(11)20/h2-5H,1H3,(H,17,19)/b18-14+.
What are the key properties of N-[(E)-(3-cyano-4-oxoindeno[1,2-b]pyrrol-2-ylidene)amino]acetamide?
N-[(E)-(3-cyano-4-oxoindeno[1,2-b]pyrrol-2-ylidene)amino]acetamide has a molecular weight of 264.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-cyano-4-oxoindeno[1,2-b]pyrrol-2-ylidene)amino]acetamide is sourced from PubChem (CID 24828941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).