potassium (4,4-dimethyl-3-oxocyclohexen-1-yl)azanide

C8H12KNO — CID 139217367

IUPACpotassium (4,4-dimethyl-3-oxocyclohexen-1-yl)azanide
SMILESCC1(C)CCC([NH-])=CC1=O.[K+]
InChIInChI=1S/C8H13NO.K/c1-8(2)4-3-6(9)5-7(8)10;/h5H,3-4H2,1-2H3,(H2,9,10);/q;+1/p-1
InChIKeyCVXCLJBRBKGJMB-UHFFFAOYSA-M
MW177.29 g/mol
LogP-0.68
Rot. Bonds

About potassium (4,4-dimethyl-3-oxocyclohexen-1-yl)azanide

potassium (4,4-dimethyl-3-oxocyclohexen-1-yl)azanide (PubChem CID 139217367) has the molecular formula C8H12KNO and a molecular weight of 177.29 g/mol. Its IUPAC name is potassium (4,4-dimethyl-3-oxocyclohexen-1-yl)azanide.

Molecular Properties

Compound Namepotassium (4,4-dimethyl-3-oxocyclohexen-1-yl)azanide
PubChem CID139217367
Molecular FormulaC8H12KNO
Molecular Weight177.29 g/mol
Exact Mass177.06
IUPAC Namepotassium (4,4-dimethyl-3-oxocyclohexen-1-yl)azanide
SMILESCC1(C)CCC([NH-])=CC1=O.[K+]
InChIInChI=1S/C8H13NO.K/c1-8(2)4-3-6(9)5-7(8)10;/h5H,3-4H2,1-2H3,(H2,9,10);/q;+1/p-1
InChIKeyCVXCLJBRBKGJMB-UHFFFAOYSA-M
XLogP-0.68
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium (4,4-dimethyl-3-oxocyclohexen-1-yl)azanide?
The IUPAC name of potassium (4,4-dimethyl-3-oxocyclohexen-1-yl)azanide (CID 139217367) is potassium (4,4-dimethyl-3-oxocyclohexen-1-yl)azanide.
What is the SMILES notation for potassium (4,4-dimethyl-3-oxocyclohexen-1-yl)azanide?
The canonical SMILES for potassium (4,4-dimethyl-3-oxocyclohexen-1-yl)azanide is CC1(C)CCC([NH-])=CC1=O.[K+].
What is the InChIKey of potassium (4,4-dimethyl-3-oxocyclohexen-1-yl)azanide?
The InChIKey is CVXCLJBRBKGJMB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13NO.K/c1-8(2)4-3-6(9)5-7(8)10;/h5H,3-4H2,1-2H3,(H2,9,10);/q;+1/p-1.
What are the key properties of potassium (4,4-dimethyl-3-oxocyclohexen-1-yl)azanide?
potassium (4,4-dimethyl-3-oxocyclohexen-1-yl)azanide has a molecular weight of 177.29 g/mol, XLogP of -0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4,4-dimethyl-3-oxocyclohexen-1-yl)azanide is sourced from PubChem (CID 139217367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).