carbanide;3-methanidylbutan-2-one;oxocobalt

C6H12CoO2-2 — CID 173489381

IUPACcarbanide;3-methanidylbutan-2-one;oxocobalt
SMILESO=[Co].[CH2-]C(C)C(C)=O.[CH3-]
InChIInChI=1S/C5H9O.CH3.Co.O/c1-4(2)5(3)6;;;/h4H,1H2,2-3H3;1H3;;/q2*-1;;
InChIKeyWOIDQBAPWQFHJK-UHFFFAOYSA-N
MW175.09 g/mol
LogP1.37
Rot. Bonds1

About carbanide;3-methanidylbutan-2-one;oxocobalt

carbanide;3-methanidylbutan-2-one;oxocobalt (PubChem CID 173489381) has the molecular formula C6H12CoO2-2 and a molecular weight of 175.09 g/mol. Its IUPAC name is carbanide;3-methanidylbutan-2-one;oxocobalt.

Molecular Properties

Compound Namecarbanide;3-methanidylbutan-2-one;oxocobalt
PubChem CID173489381
Molecular FormulaC6H12CoO2-2
Molecular Weight175.09 g/mol
Exact Mass175.02
IUPAC Namecarbanide;3-methanidylbutan-2-one;oxocobalt
SMILESO=[Co].[CH2-]C(C)C(C)=O.[CH3-]
InChIInChI=1S/C5H9O.CH3.Co.O/c1-4(2)5(3)6;;;/h4H,1H2,2-3H3;1H3;;/q2*-1;;
InChIKeyWOIDQBAPWQFHJK-UHFFFAOYSA-N
XLogP1.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.09
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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lithium;hydride;3-methylbutan-2-one
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[(2S)-3-oxo(313C)butan-2-yl](15N)azanium
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(3R)-3-fluorobutan-2-one
CID 638120
bis(3-methylbutan-2-one);bis(2-methylsulfonylpropane)
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carbanide;3-hydroxypentane-2,4-dione;nickel
CID 172555752
(3S)-3-hydroxybutan-2-one;3-methylbutan-2-one
CID 161241021
carbanide;propan-2-one;vanadium(2+)
CID 153454963
methyl 2-methanidylpropanoate;zinc
CID 170330092
(3S)-3-methyl-4-oxopentanoic acid
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3-(methanidylamino)butan-2-one;yttrium
CID 58224076

Frequently Asked Questions

What is the IUPAC name of carbanide;3-methanidylbutan-2-one;oxocobalt?
The IUPAC name of carbanide;3-methanidylbutan-2-one;oxocobalt (CID 173489381) is carbanide;3-methanidylbutan-2-one;oxocobalt.
What is the SMILES notation for carbanide;3-methanidylbutan-2-one;oxocobalt?
The canonical SMILES for carbanide;3-methanidylbutan-2-one;oxocobalt is O=[Co].[CH2-]C(C)C(C)=O.[CH3-].
What is the InChIKey of carbanide;3-methanidylbutan-2-one;oxocobalt?
The InChIKey is WOIDQBAPWQFHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O.CH3.Co.O/c1-4(2)5(3)6;;;/h4H,1H2,2-3H3;1H3;;/q2*-1;;.
What are the key properties of carbanide;3-methanidylbutan-2-one;oxocobalt?
carbanide;3-methanidylbutan-2-one;oxocobalt has a molecular weight of 175.09 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-methanidylbutan-2-one;oxocobalt is sourced from PubChem (CID 173489381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).