potassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride

C12H16KNO4 — CID 173253827

IUPACpotassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride
SMILESCOc1cccc(C2CC(=O)N(O)C2)c1OC.[H-].[K+]
InChIInChI=1S/C12H15NO4.K.H/c1-16-10-5-3-4-9(12(10)17-2)8-6-11(14)13(15)7-8;;/h3-5,8,15H,6-7H2,1-2H3;;/q;+1;-1
InChIKeyIBCRIVLARNMYOW-UHFFFAOYSA-N
MW277.36 g/mol
LogP-1.47
Rot. Bonds3

About potassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride

potassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride (PubChem CID 173253827) has the molecular formula C12H16KNO4 and a molecular weight of 277.36 g/mol. Its IUPAC name is potassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride.

Molecular Properties

Compound Namepotassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride
PubChem CID173253827
Molecular FormulaC12H16KNO4
Molecular Weight277.36 g/mol
Exact Mass277.07
IUPAC Namepotassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride
SMILESCOc1cccc(C2CC(=O)N(O)C2)c1OC.[H-].[K+]
InChIInChI=1S/C12H15NO4.K.H/c1-16-10-5-3-4-9(12(10)17-2)8-6-11(14)13(15)7-8;;/h3-5,8,15H,6-7H2,1-2H3;;/q;+1;-1
InChIKeyIBCRIVLARNMYOW-UHFFFAOYSA-N
XLogP-1.47
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride?
The IUPAC name of potassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride (CID 173253827) is potassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride.
What is the SMILES notation for potassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride?
The canonical SMILES for potassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride is COc1cccc(C2CC(=O)N(O)C2)c1OC.[H-].[K+].
What is the InChIKey of potassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride?
The InChIKey is IBCRIVLARNMYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4.K.H/c1-16-10-5-3-4-9(12(10)17-2)8-6-11(14)13(15)7-8;;/h3-5,8,15H,6-7H2,1-2H3;;/q;+1;-1.
What are the key properties of potassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride?
potassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride has a molecular weight of 277.36 g/mol, XLogP of -1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-(2,3-dimethoxyphenyl)-1-hydroxypyrrolidin-2-one;hydride is sourced from PubChem (CID 173253827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).