N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel

C3H6N2NiO2 — CID 161461506

IUPACN-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel
SMILESCC(C=NO)=NO.[Ni]
InChIInChI=1S/C3H6N2O2.Ni/c1-3(5-7)2-4-6;/h2,6-7H,1H3;
InChIKeyWBWNARFJUOCMQP-UHFFFAOYSA-N
MW160.79 g/mol
LogP0.29
Rot. Bonds1

About N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel

N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel (PubChem CID 161461506) has the molecular formula C3H6N2NiO2 and a molecular weight of 160.79 g/mol. Its IUPAC name is N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel.

Molecular Properties

Compound NameN-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel
PubChem CID161461506
Molecular FormulaC3H6N2NiO2
Molecular Weight160.79 g/mol
Exact Mass159.98
IUPAC NameN-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel
SMILESCC(C=NO)=NO.[Ni]
InChIInChI=1S/C3H6N2O2.Ni/c1-3(5-7)2-4-6;/h2,6-7H,1H3;
InChIKeyWBWNARFJUOCMQP-UHFFFAOYSA-N
XLogP0.29
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.79
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

(NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine
CID 135538356
(NE)-N-[(E,5E)-5-hydroxyiminohex-3-en-2-ylidene]hydroxylamine
CID 137315895
CID 174297388
CID 174297388
chromium;N-(2-methoxyiminopropylidene)hydroxylamine
CID 174360652
(NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine
CID 177464159
(NZ)-N-[(E)-pent-3-en-2-ylidene]hydroxylamine
CID 101070438
N-(1-hydroxyimino-3-methylbutan-2-ylidene)hydroxylamine
CID 137185576
(1Z)-N-hydroxy-2-(2-hydroxyiminopropylideneamino)-2-methyliminoethanimidoyl chloride
CID 172965724
N-ethylidenehydroxylamine;nickel
CID 157374341
N-(1-iminopropan-2-ylidene)hydroxylamine
CID 140984179
(NZ)-N-[(E)-5-methylhex-3-en-2-ylidene]hydroxylamine
CID 58526738
(E,4E)-4-hydroxyiminopent-2-enoic acid
CID 119096285

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel?
The IUPAC name of N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel (CID 161461506) is N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel.
What is the SMILES notation for N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel?
The canonical SMILES for N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel is CC(C=NO)=NO.[Ni].
What is the InChIKey of N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel?
The InChIKey is WBWNARFJUOCMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2.Ni/c1-3(5-7)2-4-6;/h2,6-7H,1H3;.
What are the key properties of N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel?
N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel has a molecular weight of 160.79 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel is sourced from PubChem (CID 161461506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).