(NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+)

C10H18FeN4O2+2 — CID 135801394

IUPAC(NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+)
SMILESCC(=N/O)/C(C)=N/CC/N=C(C)/C(C)=N\O.[Fe+2]
InChIInChI=1S/C10H18N4O2.Fe/c1-7(9(3)13-15)11-5-6-12-8(2)10(4)14-16;/h15-16H,5-6H2,1-4H3;/q;+2/b11-7+,12-8+,13-9-,14-10-;
InChIKeyDKYQCZHMRKGINM-PMIPXZDPSA-N
MW282.12 g/mol
LogP1.61
Rot. Bonds5

About (NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+)

(NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+) (PubChem CID 135801394) has the molecular formula C10H18FeN4O2+2 and a molecular weight of 282.12 g/mol. Its IUPAC name is (NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+).

Molecular Properties

Compound Name(NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+)
PubChem CID135801394
Molecular FormulaC10H18FeN4O2+2
Molecular Weight282.12 g/mol
Exact Mass282.08
IUPAC Name(NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+)
SMILESCC(=N/O)/C(C)=N/CC/N=C(C)/C(C)=N\O.[Fe+2]
InChIInChI=1S/C10H18N4O2.Fe/c1-7(9(3)13-15)11-5-6-12-8(2)10(4)14-16;/h15-16H,5-6H2,1-4H3;/q;+2/b11-7+,12-8+,13-9-,14-10-;
InChIKeyDKYQCZHMRKGINM-PMIPXZDPSA-N
XLogP1.61
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze (NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+) with MolForge

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Related Compounds

(NE)-N-[3-[2-[2-[[(3E)-3-hydroxyiminobutan-2-ylidene]amino]ethylamino]ethylimino]butan-2-ylidene]hydroxylamine
CID 177428528
(NE)-N-(3-pentyliminobutan-2-ylidene)hydroxylamine
CID 177494784
bis(N-[3-(3-aminopropylimino)butan-2-ylidene]hydroxylamine);cobalt(2+)
CID 135459891
ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 174673280
3-N-oxido-2-N-[2-[[(3E)-3-oxidoiminobutan-2-ylidene]amino]ethyl]butane-2,3-diimine
CID 5486308
2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid
CID 135472003
carbamic acid;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 175173271
(NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine
CID 135897357
2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine
CID 11182393
(NE)-N-[(3E)-3-methoxyiminobutan-2-ylidene]hydroxylamine
CID 135548751
N-[2-[3-(2-acetamidoethylimino)butan-2-ylideneamino]ethyl]acetamide
CID 15723054
(3-hydroxyiminobutan-2-ylideneamino) hypoiodite
CID 137184585

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+)?
The IUPAC name of (NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+) (CID 135801394) is (NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+).
What is the SMILES notation for (NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+)?
The canonical SMILES for (NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+) is CC(=N/O)/C(C)=N/CC/N=C(C)/C(C)=N\O.[Fe+2].
What is the InChIKey of (NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+)?
The InChIKey is DKYQCZHMRKGINM-PMIPXZDPSA-N. The full InChI is InChI=1S/C10H18N4O2.Fe/c1-7(9(3)13-15)11-5-6-12-8(2)10(4)14-16;/h15-16H,5-6H2,1-4H3;/q;+2/b11-7+,12-8+,13-9-,14-10-;.
What are the key properties of (NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+)?
(NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+) has a molecular weight of 282.12 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-[2-[[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]ethylimino]butan-2-ylidene]hydroxylamine;iron(2+) is sourced from PubChem (CID 135801394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).