carbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine)

C18H38Co2N8O8-2 — CID 5475962

IUPACcarbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine)
SMILESC/C(N=O)=C(\C)NO.C/C(N=O)=C(\C)NO.C/C(N=O)=C(\C)NO.C/C(N=O)=C(\C)NO.[CH3-].[CH3-].[Co].[Co]
InChIInChI=1S/4C4H8N2O2.2CH3.2Co/c4*1-3(5-7)4(2)6-8;;;;/h4*5,7H,1-2H3;2*1H3;;/q;;;;2*-1;;/b4*4-3-;;;;
InChIKeyHYUMKJLWVVBBRA-XWIHWUNXSA-N
MW612.42 g/mol
LogP4.83
Rot. Bonds8

About carbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine)

carbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine) (PubChem CID 5475962) has the molecular formula C18H38Co2N8O8-2 and a molecular weight of 612.42 g/mol. Its IUPAC name is carbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine).

Molecular Properties

Compound Namecarbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine)
PubChem CID5475962
Molecular FormulaC18H38Co2N8O8-2
Molecular Weight612.42 g/mol
Exact Mass612.15
IUPAC Namecarbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine)
SMILESC/C(N=O)=C(\C)NO.C/C(N=O)=C(\C)NO.C/C(N=O)=C(\C)NO.C/C(N=O)=C(\C)NO.[CH3-].[CH3-].[Co].[Co]
InChIInChI=1S/4C4H8N2O2.2CH3.2Co/c4*1-3(5-7)4(2)6-8;;;;/h4*5,7H,1-2H3;2*1H3;;/q;;;;2*-1;;/b4*4-3-;;;;
InChIKeyHYUMKJLWVVBBRA-XWIHWUNXSA-N
XLogP4.83
TPSA246.76 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500612.42
LogP ≤ 54.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

copper;bis(copper(1+));tetrakis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine);bis(1,4,7-triazanidacyclononane)
CID 5250205
chlorocobalt(1+);morpholin-4-ide;bis(N-(3-nitrosobut-2-en-2-yl)hydroxylamine)
CID 5259603
(Z)-2,3-dinitrosobut-2-ene
CID 24867599
2-methyl-3-nitrosobut-2-ene
CID 146824322
bis(2,3-dinitrosobut-2-ene);rhodium(2+);dibromide
CID 154735013
cobalt(2+);bis(N'-(3-nitrosobut-2-en-2-ylamino)carbamimidothioate)
CID 4868195
1,1-dichloro-2-nitrosoprop-1-ene
CID 12727294
(Z)-3-methyl-2-nitrosopent-2-ene
CID 123456220
methyl acetate;nitrous acid
CID 174825102
hydroxycarbamoyl acetate
CID 15549261
methyl acetate;ruthenium
CID 160799101
3-methyl-N-oxobut-3-enamide
CID 89255440

Frequently Asked Questions

What is the IUPAC name of carbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine)?
The IUPAC name of carbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine) (CID 5475962) is carbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine).
What is the SMILES notation for carbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine)?
The canonical SMILES for carbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine) is C/C(N=O)=C(\C)NO.C/C(N=O)=C(\C)NO.C/C(N=O)=C(\C)NO.C/C(N=O)=C(\C)NO.[CH3-].[CH3-].[Co].[Co].
What is the InChIKey of carbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine)?
The InChIKey is HYUMKJLWVVBBRA-XWIHWUNXSA-N. The full InChI is InChI=1S/4C4H8N2O2.2CH3.2Co/c4*1-3(5-7)4(2)6-8;;;;/h4*5,7H,1-2H3;2*1H3;;/q;;;;2*-1;;/b4*4-3-;;;;.
What are the key properties of carbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine)?
carbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine) has a molecular weight of 612.42 g/mol, XLogP of 4.83, 8 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cobalt;tetrakis(N-[(Z)-3-nitrosobut-2-en-2-yl]hydroxylamine) is sourced from PubChem (CID 5475962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).