potassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate

C10H19KN2O2 — CID 170579075

IUPACpotassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate
SMILESCC(C)C1CCNC(=O)N[C@H]([O-])CC1.[K+]
InChIInChI=1S/C10H19N2O2.K/c1-7(2)8-3-4-9(13)12-10(14)11-6-5-8;/h7-9H,3-6H2,1-2H3,(H2,11,12,14);/q-1;+1/t8?,9-;/m1./s1
InChIKeyKPTYGBLNCVVMEC-ICLMXVQUSA-N
MW238.37 g/mol
LogP-2.57
Rot. Bonds1

About potassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate

potassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate (PubChem CID 170579075) has the molecular formula C10H19KN2O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is potassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate.

Molecular Properties

Compound Namepotassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate
PubChem CID170579075
Molecular FormulaC10H19KN2O2
Molecular Weight238.37 g/mol
Exact Mass238.11
IUPAC Namepotassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate
SMILESCC(C)C1CCNC(=O)N[C@H]([O-])CC1.[K+]
InChIInChI=1S/C10H19N2O2.K/c1-7(2)8-3-4-9(13)12-10(14)11-6-5-8;/h7-9H,3-6H2,1-2H3,(H2,11,12,14);/q-1;+1/t8?,9-;/m1./s1
InChIKeyKPTYGBLNCVVMEC-ICLMXVQUSA-N
XLogP-2.57
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 5-2.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-1,3-diazepan-2-one
CID 144648206
3-propan-2-ylpyrrolidin-2-one;(3S)-3-propan-2-ylpyrrolidin-2-one;(3R)-3-propan-2-ylpyrrolidin-2-one
CID 158680886
propan-2-ylcyclopropane;hydroiodide
CID 162314014
(3R)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one
CID 170365434
4-propan-2-ylpyrrolidin-2-one
CID 20976007
molecular hydrogen;3-propan-2-ylpyrrolidine;hydrofluoride
CID 168909701
2-(7-oxoazepan-4-yl)propanoic acid
CID 23532204
3-[2-(oxidoamino)propyl]pyrrolidin-2-one
CID 176958706
3-(1-cyclopropylethylamino)piperidin-2-one
CID 62092290
4-(trifluoromethyl)-1,3-diazinan-2-one
CID 57031146
N-(2-oxo-1,3-diazinan-4-yl)acetamide
CID 45051553
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299

Frequently Asked Questions

What is the IUPAC name of potassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate?
The IUPAC name of potassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate (CID 170579075) is potassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate.
What is the SMILES notation for potassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate?
The canonical SMILES for potassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate is CC(C)C1CCNC(=O)N[C@H]([O-])CC1.[K+].
What is the InChIKey of potassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate?
The InChIKey is KPTYGBLNCVVMEC-ICLMXVQUSA-N. The full InChI is InChI=1S/C10H19N2O2.K/c1-7(2)8-3-4-9(13)12-10(14)11-6-5-8;/h7-9H,3-6H2,1-2H3,(H2,11,12,14);/q-1;+1/t8?,9-;/m1./s1.
What are the key properties of potassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate?
potassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate has a molecular weight of 238.37 g/mol, XLogP of -2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4R)-2-oxo-7-propan-2-yl-1,3-diazonan-4-olate is sourced from PubChem (CID 170579075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).