cyclopentanecarboxylic acid;N,N-dimethylcyclopenta-2,4-diene-1-carboxamide;iron

C14H15FeNO3-6 — CID 11984819

IUPACcyclopentanecarboxylic acid;N,N-dimethylcyclopenta-2,4-diene-1-carboxamide;iron
SMILESCN(C)C(=O)[c-]1cccc1.O=C(O)[c-]1[cH-][cH-][cH-][cH-]1.[Fe]
InChIInChI=1S/C8H10NO.C6H5O2.Fe/c1-9(2)8(10)7-5-3-4-6-7;7-6(8)5-3-1-2-4-5;/h3-6H,1-2H3;1-4H,(H,7,8);/q-1;-5;
InChIKeyHGUOWKKJSGHCMV-UHFFFAOYSA-N
MW301.12 g/mol
LogP2.21
Rot. Bonds2

About cyclopentanecarboxylic acid;N,N-dimethylcyclopenta-2,4-diene-1-carboxamide;iron

cyclopentanecarboxylic acid;N,N-dimethylcyclopenta-2,4-diene-1-carboxamide;iron (PubChem CID 11984819) has the molecular formula C14H15FeNO3-6 and a molecular weight of 301.12 g/mol. Its IUPAC name is cyclopentanecarboxylic acid;N,N-dimethylcyclopenta-2,4-diene-1-carboxamide;iron.

Molecular Properties

Compound Namecyclopentanecarboxylic acid;N,N-dimethylcyclopenta-2,4-diene-1-carboxamide;iron
PubChem CID11984819
Molecular FormulaC14H15FeNO3-6
Molecular Weight301.12 g/mol
Exact Mass301.04
IUPAC Namecyclopentanecarboxylic acid;N,N-dimethylcyclopenta-2,4-diene-1-carboxamide;iron
SMILESCN(C)C(=O)[c-]1cccc1.O=C(O)[c-]1[cH-][cH-][cH-][cH-]1.[Fe]
InChIInChI=1S/C8H10NO.C6H5O2.Fe/c1-9(2)8(10)7-5-3-4-6-7;7-6(8)5-3-1-2-4-5;/h3-6H,1-2H3;1-4H,(H,7,8);/q-1;-5;
InChIKeyHGUOWKKJSGHCMV-UHFFFAOYSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentanecarboxylic acid;N,N-dimethylcyclopenta-2,4-diene-1-carboxamide;iron?
The IUPAC name of cyclopentanecarboxylic acid;N,N-dimethylcyclopenta-2,4-diene-1-carboxamide;iron (CID 11984819) is cyclopentanecarboxylic acid;N,N-dimethylcyclopenta-2,4-diene-1-carboxamide;iron.
What is the SMILES notation for cyclopentanecarboxylic acid;N,N-dimethylcyclopenta-2,4-diene-1-carboxamide;iron?
The canonical SMILES for cyclopentanecarboxylic acid;N,N-dimethylcyclopenta-2,4-diene-1-carboxamide;iron is CN(C)C(=O)[c-]1cccc1.O=C(O)[c-]1[cH-][cH-][cH-][cH-]1.[Fe].
What is the InChIKey of cyclopentanecarboxylic acid;N,N-dimethylcyclopenta-2,4-diene-1-carboxamide;iron?
The InChIKey is HGUOWKKJSGHCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO.C6H5O2.Fe/c1-9(2)8(10)7-5-3-4-6-7;7-6(8)5-3-1-2-4-5;/h3-6H,1-2H3;1-4H,(H,7,8);/q-1;-5;.
What are the key properties of cyclopentanecarboxylic acid;N,N-dimethylcyclopenta-2,4-diene-1-carboxamide;iron?
cyclopentanecarboxylic acid;N,N-dimethylcyclopenta-2,4-diene-1-carboxamide;iron has a molecular weight of 301.12 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanecarboxylic acid;N,N-dimethylcyclopenta-2,4-diene-1-carboxamide;iron is sourced from PubChem (CID 11984819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).