carbamic acid;cyclopenta-1,3-diene;cyclopentane;iron

C11H13FeNO2-6 — CID 87899124

IUPACcarbamic acid;cyclopenta-1,3-diene;cyclopentane;iron
SMILESNC(=O)O.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.CH3NO2.Fe/c2*1-2-4-5-3-1;2-1(3)4;/h2*1-5H;2H2,(H,3,4);/q-5;-1;;
InChIKeyRLKFIQQPJSGCQA-UHFFFAOYSA-N
MW247.08 g/mol
LogP2.43
Rot. Bonds

About carbamic acid;cyclopenta-1,3-diene;cyclopentane;iron

carbamic acid;cyclopenta-1,3-diene;cyclopentane;iron (PubChem CID 87899124) has the molecular formula C11H13FeNO2-6 and a molecular weight of 247.08 g/mol. Its IUPAC name is carbamic acid;cyclopenta-1,3-diene;cyclopentane;iron.

Molecular Properties

Compound Namecarbamic acid;cyclopenta-1,3-diene;cyclopentane;iron
PubChem CID87899124
Molecular FormulaC11H13FeNO2-6
Molecular Weight247.08 g/mol
Exact Mass247.03
IUPAC Namecarbamic acid;cyclopenta-1,3-diene;cyclopentane;iron
SMILESNC(=O)O.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.CH3NO2.Fe/c2*1-2-4-5-3-1;2-1(3)4;/h2*1-5H;2H2,(H,3,4);/q-5;-1;;
InChIKeyRLKFIQQPJSGCQA-UHFFFAOYSA-N
XLogP2.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 carbamic acid;cyclopenta-1,3-diene;cyclopentane;iron?
The IUPAC name of carbamic acid;cyclopenta-1,3-diene;cyclopentane;iron (CID 87899124) is carbamic acid;cyclopenta-1,3-diene;cyclopentane;iron.
What is the SMILES notation for carbamic acid;cyclopenta-1,3-diene;cyclopentane;iron?
The canonical SMILES for carbamic acid;cyclopenta-1,3-diene;cyclopentane;iron is NC(=O)O.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.
What is the InChIKey of carbamic acid;cyclopenta-1,3-diene;cyclopentane;iron?
The InChIKey is RLKFIQQPJSGCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.CH3NO2.Fe/c2*1-2-4-5-3-1;2-1(3)4;/h2*1-5H;2H2,(H,3,4);/q-5;-1;;.
What are the key properties of carbamic acid;cyclopenta-1,3-diene;cyclopentane;iron?
carbamic acid;cyclopenta-1,3-diene;cyclopentane;iron has a molecular weight of 247.08 g/mol, XLogP of 2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;cyclopenta-1,3-diene;cyclopentane;iron is sourced from PubChem (CID 87899124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).