5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid

C15H9N3O3 — CID 69059802

IUPAC5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid
SMILESN#Cc1ccc2c(c1)/C(=C/c1cc(C(=O)O)c[nH]1)C(=O)N2
InChIInChI=1S/C15H9N3O3/c16-6-8-1-2-13-11(3-8)12(14(19)18-13)5-10-4-9(7-17-10)15(20)21/h1-5,7,17H,(H,18,19)(H,20,21)/b12-5-
InChIKeyRUTXGAAOWYEWHV-XGICHPGQSA-N
MW279.26 g/mol
LogP2.08
Rot. Bonds2

About 5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid

5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid (PubChem CID 69059802) has the molecular formula C15H9N3O3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid
PubChem CID69059802
Molecular FormulaC15H9N3O3
Molecular Weight279.26 g/mol
Exact Mass279.06
IUPAC Name5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid
SMILESN#Cc1ccc2c(c1)/C(=C/c1cc(C(=O)O)c[nH]1)C(=O)N2
InChIInChI=1S/C15H9N3O3/c16-6-8-1-2-13-11(3-8)12(14(19)18-13)5-10-4-9(7-17-10)15(20)21/h1-5,7,17H,(H,18,19)(H,20,21)/b12-5-
InChIKeyRUTXGAAOWYEWHV-XGICHPGQSA-N
XLogP2.08
TPSA105.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid (CID 69059802) is 5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid is N#Cc1ccc2c(c1)/C(=C/c1cc(C(=O)O)c[nH]1)C(=O)N2.
What is the InChIKey of 5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid?
The InChIKey is RUTXGAAOWYEWHV-XGICHPGQSA-N. The full InChI is InChI=1S/C15H9N3O3/c16-6-8-1-2-13-11(3-8)12(14(19)18-13)5-10-4-9(7-17-10)15(20)21/h1-5,7,17H,(H,18,19)(H,20,21)/b12-5-.
What are the key properties of 5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid?
5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid has a molecular weight of 279.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(5-cyano-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 69059802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).