2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

C22H15NO3 — CID 146554692

IUPAC2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCc1cc2c(cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)n2C)o1
InChIInChI=1S/C22H15NO3/c1-12-7-19-20(26-12)11-15(23(19)2)10-18-21(24)16-8-13-5-3-4-6-14(13)9-17(16)22(18)25/h3-11H,1-2H3
InChIKeyCRBCCSQRVRGKST-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.70
Rot. Bonds1

About 2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 146554692) has the molecular formula C22H15NO3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
PubChem CID146554692
Molecular FormulaC22H15NO3
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Name2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCc1cc2c(cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)n2C)o1
InChIInChI=1S/C22H15NO3/c1-12-7-19-20(26-12)11-15(23(19)2)10-18-21(24)16-8-13-5-3-4-6-14(13)9-17(16)22(18)25/h3-11H,1-2H3
InChIKeyCRBCCSQRVRGKST-UHFFFAOYSA-N
XLogP4.70
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-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-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 146554692) is 2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is Cc1cc2c(cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)n2C)o1.
What is the InChIKey of 2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
The InChIKey is CRBCCSQRVRGKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO3/c1-12-7-19-20(26-12)11-15(23(19)2)10-18-21(24)16-8-13-5-3-4-6-14(13)9-17(16)22(18)25/h3-11H,1-2H3.
What are the key properties of 2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?
2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 341.37 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 146554692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).