2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione

C20H13NO2 — CID 719245

IUPAC2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2cccn2-c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C20H13NO2/c22-19-16-10-4-5-11-17(16)20(23)18(19)13-15-9-6-12-21(15)14-7-2-1-3-8-14/h1-13H
InChIKeyGOMJZFRPZZCHDO-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.94
Rot. Bonds2

About 2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione

2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione (PubChem CID 719245) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione
PubChem CID719245
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2cccn2-c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C20H13NO2/c22-19-16-10-4-5-11-17(16)20(23)18(19)13-15-9-6-12-21(15)14-7-2-1-3-8-14/h1-13H
InChIKeyGOMJZFRPZZCHDO-UHFFFAOYSA-N
XLogP3.94
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione 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 2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione?
The IUPAC name of 2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione (CID 719245) is 2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione?
The canonical SMILES for 2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione is O=C1C(=Cc2cccn2-c2ccccc2)C(=O)c2ccccc21.
What is the InChIKey of 2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione?
The InChIKey is GOMJZFRPZZCHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c22-19-16-10-4-5-11-17(16)20(23)18(19)13-15-9-6-12-21(15)14-7-2-1-3-8-14/h1-13H.
What are the key properties of 2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione?
2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione has a molecular weight of 299.33 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpyrrol-2-yl)methylidene]indene-1,3-dione is sourced from PubChem (CID 719245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).