cyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+)

C15H17FeNO — CID 169087261

IUPACcyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+)
SMILESC=CC(=O)NCC[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C10H12NO.C5H5.Fe/c1-2-10(12)11-8-7-9-5-3-4-6-9;1-2-4-5-3-1;/h2-6H,1,7-8H2,(H,11,12);1-5H;/q2*-1;+2
InChIKeyIMUCTXUZEXZURD-UHFFFAOYSA-N
MW283.15 g/mol
LogP2.65
Rot. Bonds4

About cyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+)

cyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+) (PubChem CID 169087261) has the molecular formula C15H17FeNO and a molecular weight of 283.15 g/mol. Its IUPAC name is cyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+)
PubChem CID169087261
Molecular FormulaC15H17FeNO
Molecular Weight283.15 g/mol
Exact Mass283.07
IUPAC Namecyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+)
SMILESC=CC(=O)NCC[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C10H12NO.C5H5.Fe/c1-2-10(12)11-8-7-9-5-3-4-6-9;1-2-4-5-3-1;/h2-6H,1,7-8H2,(H,11,12);1-5H;/q2*-1;+2
InChIKeyIMUCTXUZEXZURD-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+) (CID 169087261) is cyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+) is C=CC(=O)NCC[c-]1cccc1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+)?
The InChIKey is IMUCTXUZEXZURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO.C5H5.Fe/c1-2-10(12)11-8-7-9-5-3-4-6-9;1-2-4-5-3-1;/h2-6H,1,7-8H2,(H,11,12);1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+)?
cyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+) has a molecular weight of 283.15 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;N-(2-cyclopenta-2,4-dien-1-ylethyl)prop-2-enamide;iron(2+) is sourced from PubChem (CID 169087261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).