cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron

C11H12FeN2O-2 — CID 171395327

IUPACcyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron
SMILESNNC([O-])=C1C=CC=C1.[Fe].c1cc[cH-]c1
InChIInChI=1S/C6H8N2O.C5H5.Fe/c7-8-6(9)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4,8-9H,7H2;1-5H;/q;-1;/p-1
InChIKeyCTRWQRFAISOKSW-UHFFFAOYSA-M
MW244.08 g/mol
LogP0.55
Rot. Bonds1

About cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron

cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron (PubChem CID 171395327) has the molecular formula C11H12FeN2O-2 and a molecular weight of 244.08 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron.

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron
PubChem CID171395327
Molecular FormulaC11H12FeN2O-2
Molecular Weight244.08 g/mol
Exact Mass244.03
IUPAC Namecyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron
SMILESNNC([O-])=C1C=CC=C1.[Fe].c1cc[cH-]c1
InChIInChI=1S/C6H8N2O.C5H5.Fe/c7-8-6(9)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4,8-9H,7H2;1-5H;/q;-1;/p-1
InChIKeyCTRWQRFAISOKSW-UHFFFAOYSA-M
XLogP0.55
TPSA61.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)
CID 175693136
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(2-sulfanylethylamino)methanolate;iron(2+)
CID 131724610
chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene
CID 167440879
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediol;oxoiron(1+)
CID 169092793
cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron
CID 176895077
(2-bromophenyl)-cyclopenta-2,4-dien-1-ylidenemethanolate;cyclopenta-1,3-diene;iron(2+)
CID 131722396
bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron
CID 171395328
cyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron
CID 163364348
cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate
CID 90480818
[[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methylamino]-cyclopenta-2,4-dien-1-ylidenemethanolate;cyclopenta-1,3-diene;iron(2+)
CID 139238732
bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469
tetrakis(cyclopenta-2,4-dien-1-ylidenemethanediolate);hafnium(4+);bis(iron(2+))
CID 178076225

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron?
The IUPAC name of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron (CID 171395327) is cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron?
The canonical SMILES for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron is NNC([O-])=C1C=CC=C1.[Fe].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron?
The InChIKey is CTRWQRFAISOKSW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2O.C5H5.Fe/c7-8-6(9)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4,8-9H,7H2;1-5H;/q;-1;/p-1.
What are the key properties of cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron?
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron has a molecular weight of 244.08 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron is sourced from PubChem (CID 171395327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).