potassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride

C12H15KN2O2 — CID 173406690

IUPACpotassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride
SMILESCC1(C)CC(=O)C(c2cnccn2)C(=O)C1.[H-].[K+]
InChIInChI=1S/C12H14N2O2.K.H/c1-12(2)5-9(15)11(10(16)6-12)8-7-13-3-4-14-8;;/h3-4,7,11H,5-6H2,1-2H3;;/q;+1;-1
InChIKeyZKVKZBZZAMSVQX-UHFFFAOYSA-N
MW258.36 g/mol
LogP-1.37
Rot. Bonds1

About potassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride

potassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride (PubChem CID 173406690) has the molecular formula C12H15KN2O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is potassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride.

Molecular Properties

Compound Namepotassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride
PubChem CID173406690
Molecular FormulaC12H15KN2O2
Molecular Weight258.36 g/mol
Exact Mass258.08
IUPAC Namepotassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride
SMILESCC1(C)CC(=O)C(c2cnccn2)C(=O)C1.[H-].[K+]
InChIInChI=1S/C12H14N2O2.K.H/c1-12(2)5-9(15)11(10(16)6-12)8-7-13-3-4-14-8;;/h3-4,7,11H,5-6H2,1-2H3;;/q;+1;-1
InChIKeyZKVKZBZZAMSVQX-UHFFFAOYSA-N
XLogP-1.37
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

sodium;5,5-dimethyl-2-pyridin-2-ylcyclohexane-1,3-dione;hydride
CID 173406675
CID 70432707
CID 70432707
2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-pyridin-3-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione
CID 632765
2-imidazol-1-yl-5,5-dimethylcyclohexane-1,3-dione
CID 175475456
benzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine
CID 144818057
3-methyl-3-pyrazin-2-ylcyclopentan-1-one
CID 116538563
trans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol
CID 130127546
2-pyrazin-2-ylcyclohexan-1-ol
CID 63968400
2-pyrazolidin-4-ylpyrazine
CID 71642391
4-pyrazin-2-ylpiperidin-1-amine
CID 174931565
(4,4-dimethylcyclohexyl)-pyrazin-2-ylmethanone
CID 65390403
N,2-diethyl-2-methyl-3-pyrazin-2-ylcyclobutan-1-amine
CID 81417531

Frequently Asked Questions

What is the IUPAC name of potassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride?
The IUPAC name of potassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride (CID 173406690) is potassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride.
What is the SMILES notation for potassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride?
The canonical SMILES for potassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride is CC1(C)CC(=O)C(c2cnccn2)C(=O)C1.[H-].[K+].
What is the InChIKey of potassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride?
The InChIKey is ZKVKZBZZAMSVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.K.H/c1-12(2)5-9(15)11(10(16)6-12)8-7-13-3-4-14-8;;/h3-4,7,11H,5-6H2,1-2H3;;/q;+1;-1.
What are the key properties of potassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride?
potassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride has a molecular weight of 258.36 g/mol, XLogP of -1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5,5-dimethyl-2-pyrazin-2-ylcyclohexane-1,3-dione;hydride is sourced from PubChem (CID 173406690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).