cyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron

C12H15FeN4O2- — CID 163364348

IUPACcyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron
SMILESNNC(=O)C1=CC=C/C1=C(/O)NN.[Fe].c1cc[cH-]c1
InChIInChI=1S/C7H10N4O2.C5H5.Fe/c8-10-6(12)4-2-1-3-5(4)7(13)11-9;1-2-4-5-3-1;/h1-3,10,12H,8-9H2,(H,11,13);1-5H;/q;-1;/b6-4-;;
InChIKeyKQDDCPGTLRFPKP-XFUGJFOESA-N
MW303.12 g/mol
LogP0.11
Rot. Bonds2

About cyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron

cyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron (PubChem CID 163364348) has the molecular formula C12H15FeN4O2- and a molecular weight of 303.12 g/mol. Its IUPAC name is cyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron.

Molecular Properties

Compound Namecyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron
PubChem CID163364348
Molecular FormulaC12H15FeN4O2-
Molecular Weight303.12 g/mol
Exact Mass303.05
IUPAC Namecyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron
SMILESNNC(=O)C1=CC=C/C1=C(/O)NN.[Fe].c1cc[cH-]c1
InChIInChI=1S/C7H10N4O2.C5H5.Fe/c8-10-6(12)4-2-1-3-5(4)7(13)11-9;1-2-4-5-3-1;/h1-3,10,12H,8-9H2,(H,11,13);1-5H;/q;-1;/b6-4-;;
InChIKeyKQDDCPGTLRFPKP-XFUGJFOESA-N
XLogP0.11
TPSA113.40 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 50.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 171395327
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CID 169092793
cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron
CID 176895077
chloro(cyclopenta-2,4-dien-1-ylidene)methanol;cobalt;cyclopenta-1,3-diene
CID 167440879
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CID 11424318
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CID 174566374
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CID 162076561
2-acetylbenzohydrazide;hydrochloride
CID 175815383
1-(5-propan-2-ylidenecyclopenta-1,3-dien-1-yl)ethanone
CID 67932454
3,5-dichlorobenzohydrazide
CID 2735966
2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
CID 141301620
2-chloro-6-(hydrazinecarbonyl)benzoic acid
CID 169146533

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron?
The IUPAC name of cyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron (CID 163364348) is cyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron.
What is the SMILES notation for cyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron?
The canonical SMILES for cyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron is NNC(=O)C1=CC=C/C1=C(/O)NN.[Fe].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron?
The InChIKey is KQDDCPGTLRFPKP-XFUGJFOESA-N. The full InChI is InChI=1S/C7H10N4O2.C5H5.Fe/c8-10-6(12)4-2-1-3-5(4)7(13)11-9;1-2-4-5-3-1;/h1-3,10,12H,8-9H2,(H,11,13);1-5H;/q;-1;/b6-4-;;.
What are the key properties of cyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron?
cyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron has a molecular weight of 303.12 g/mol, XLogP of 0.11, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron is sourced from PubChem (CID 163364348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).