cyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron

C29H26FeN4O — CID 71594459

IUPACcyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron
SMILESC1=CCC=C1.O=C1C(n2cc(C3=CCC=C3)nn2)[C@@H](/C=C/c2ccccc2)N1c1ccccc1.[Fe]
InChIInChI=1S/C24H20N4O.C5H6.Fe/c29-24-23(27-17-21(25-26-27)19-11-7-8-12-19)22(16-15-18-9-3-1-4-10-18)28(24)20-13-5-2-6-14-20;1-2-4-5-3-1;/h1-7,9-17,22-23H,8H2;1-4H,5H2;/b16-15+;;/t22-,23?;;/m1../s1
InChIKeyMFAIEEOGWQOPAK-MKYFQFQVSA-N
MW502.40 g/mol
LogP5.79
Rot. Bonds5

About cyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron

cyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron (PubChem CID 71594459) has the molecular formula C29H26FeN4O and a molecular weight of 502.40 g/mol. Its IUPAC name is cyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron.

Molecular Properties

Compound Namecyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron
PubChem CID71594459
Molecular FormulaC29H26FeN4O
Molecular Weight502.40 g/mol
Exact Mass502.15
IUPAC Namecyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron
SMILESC1=CCC=C1.O=C1C(n2cc(C3=CCC=C3)nn2)[C@@H](/C=C/c2ccccc2)N1c1ccccc1.[Fe]
InChIInChI=1S/C24H20N4O.C5H6.Fe/c29-24-23(27-17-21(25-26-27)19-11-7-8-12-19)22(16-15-18-9-3-1-4-10-18)28(24)20-13-5-2-6-14-20;1-2-4-5-3-1;/h1-7,9-17,22-23H,8H2;1-4H,5H2;/b16-15+;;/t22-,23?;;/m1../s1
InChIKeyMFAIEEOGWQOPAK-MKYFQFQVSA-N
XLogP5.79
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.40
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron 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 cyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron?
The IUPAC name of cyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron (CID 71594459) is cyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron.
What is the SMILES notation for cyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron?
The canonical SMILES for cyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron is C1=CCC=C1.O=C1C(n2cc(C3=CCC=C3)nn2)[C@@H](/C=C/c2ccccc2)N1c1ccccc1.[Fe].
What is the InChIKey of cyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron?
The InChIKey is MFAIEEOGWQOPAK-MKYFQFQVSA-N. The full InChI is InChI=1S/C24H20N4O.C5H6.Fe/c29-24-23(27-17-21(25-26-27)19-11-7-8-12-19)22(16-15-18-9-3-1-4-10-18)28(24)20-13-5-2-6-14-20;1-2-4-5-3-1;/h1-7,9-17,22-23H,8H2;1-4H,5H2;/b16-15+;;/t22-,23?;;/m1../s1.
What are the key properties of cyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron?
cyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron has a molecular weight of 502.40 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;(4R)-3-(4-cyclopenta-1,4-dien-1-yltriazol-1-yl)-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-2-one;iron is sourced from PubChem (CID 71594459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).