(NZ)-N-(1-cyclopenta-2,4-dien-1-ylethylidene)hydroxylamine;cyclopentane;iron

C12H13FeNO-6 — CID 11986865

IUPAC(NZ)-N-(1-cyclopenta-2,4-dien-1-ylethylidene)hydroxylamine;cyclopentane;iron
SMILESC/C(=N/O)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C7H8NO.C5H5.Fe/c1-6(8-9)7-4-2-3-5-7;1-2-4-5-3-1;/h2-5,9H,1H3;1-5H;/q-1;-5;/b8-6-;;
InChIKeyKSHIWMDULSISJU-OTDBEEGXSA-N
MW243.09 g/mol
LogP3.01
Rot. Bonds1

About (NZ)-N-(1-cyclopenta-2,4-dien-1-ylethylidene)hydroxylamine;cyclopentane;iron

(NZ)-N-(1-cyclopenta-2,4-dien-1-ylethylidene)hydroxylamine;cyclopentane;iron (PubChem CID 11986865) has the molecular formula C12H13FeNO-6 and a molecular weight of 243.09 g/mol. Its IUPAC name is (NZ)-N-(1-cyclopenta-2,4-dien-1-ylethylidene)hydroxylamine;cyclopentane;iron.

Molecular Properties

Compound Name(NZ)-N-(1-cyclopenta-2,4-dien-1-ylethylidene)hydroxylamine;cyclopentane;iron
PubChem CID11986865
Molecular FormulaC12H13FeNO-6
Molecular Weight243.09 g/mol
Exact Mass243.04
IUPAC Name(NZ)-N-(1-cyclopenta-2,4-dien-1-ylethylidene)hydroxylamine;cyclopentane;iron
SMILESC/C(=N/O)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C7H8NO.C5H5.Fe/c1-6(8-9)7-4-2-3-5-7;1-2-4-5-3-1;/h2-5,9H,1H3;1-5H;/q-1;-5;/b8-6-;;
InChIKeyKSHIWMDULSISJU-OTDBEEGXSA-N
XLogP3.01
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 53.01
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'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1-cyclopenta-2,4-dien-1-ylethylidene)hydroxylamine;cyclopentane;iron?
The IUPAC name of (NZ)-N-(1-cyclopenta-2,4-dien-1-ylethylidene)hydroxylamine;cyclopentane;iron (CID 11986865) is (NZ)-N-(1-cyclopenta-2,4-dien-1-ylethylidene)hydroxylamine;cyclopentane;iron.
What is the SMILES notation for (NZ)-N-(1-cyclopenta-2,4-dien-1-ylethylidene)hydroxylamine;cyclopentane;iron?
The canonical SMILES for (NZ)-N-(1-cyclopenta-2,4-dien-1-ylethylidene)hydroxylamine;cyclopentane;iron is C/C(=N/O)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of (NZ)-N-(1-cyclopenta-2,4-dien-1-ylethylidene)hydroxylamine;cyclopentane;iron?
The InChIKey is KSHIWMDULSISJU-OTDBEEGXSA-N. The full InChI is InChI=1S/C7H8NO.C5H5.Fe/c1-6(8-9)7-4-2-3-5-7;1-2-4-5-3-1;/h2-5,9H,1H3;1-5H;/q-1;-5;/b8-6-;;.
What are the key properties of (NZ)-N-(1-cyclopenta-2,4-dien-1-ylethylidene)hydroxylamine;cyclopentane;iron?
(NZ)-N-(1-cyclopenta-2,4-dien-1-ylethylidene)hydroxylamine;cyclopentane;iron has a molecular weight of 243.09 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-cyclopenta-2,4-dien-1-ylethylidene)hydroxylamine;cyclopentane;iron is sourced from PubChem (CID 11986865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).