potassium [4-(acetyloxymethyl)phenyl]azanide

C9H10KNO2 — CID 177177546

IUPACpotassium [4-(acetyloxymethyl)phenyl]azanide
SMILESCC(=O)OCc1ccc([NH-])cc1.[K+]
InChIInChI=1S/C9H10NO2.K/c1-7(11)12-6-8-2-4-9(10)5-3-8;/h2-5,10H,6H2,1H3;/q-1;+1
InChIKeyWMPKPTRZRKOPAJ-UHFFFAOYSA-N
MW203.28 g/mol
LogP-0.56
Rot. Bonds2

About potassium [4-(acetyloxymethyl)phenyl]azanide

potassium [4-(acetyloxymethyl)phenyl]azanide (PubChem CID 177177546) has the molecular formula C9H10KNO2 and a molecular weight of 203.28 g/mol. Its IUPAC name is potassium [4-(acetyloxymethyl)phenyl]azanide.

Molecular Properties

Compound Namepotassium [4-(acetyloxymethyl)phenyl]azanide
PubChem CID177177546
Molecular FormulaC9H10KNO2
Molecular Weight203.28 g/mol
Exact Mass203.03
IUPAC Namepotassium [4-(acetyloxymethyl)phenyl]azanide
SMILESCC(=O)OCc1ccc([NH-])cc1.[K+]
InChIInChI=1S/C9H10NO2.K/c1-7(11)12-6-8-2-4-9(10)5-3-8;/h2-5,10H,6H2,1H3;/q-1;+1
InChIKeyWMPKPTRZRKOPAJ-UHFFFAOYSA-N
XLogP-0.56
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of potassium [4-(acetyloxymethyl)phenyl]azanide?
The IUPAC name of potassium [4-(acetyloxymethyl)phenyl]azanide (CID 177177546) is potassium [4-(acetyloxymethyl)phenyl]azanide.
What is the SMILES notation for potassium [4-(acetyloxymethyl)phenyl]azanide?
The canonical SMILES for potassium [4-(acetyloxymethyl)phenyl]azanide is CC(=O)OCc1ccc([NH-])cc1.[K+].
What is the InChIKey of potassium [4-(acetyloxymethyl)phenyl]azanide?
The InChIKey is WMPKPTRZRKOPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO2.K/c1-7(11)12-6-8-2-4-9(10)5-3-8;/h2-5,10H,6H2,1H3;/q-1;+1.
What are the key properties of potassium [4-(acetyloxymethyl)phenyl]azanide?
potassium [4-(acetyloxymethyl)phenyl]azanide has a molecular weight of 203.28 g/mol, XLogP of -0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [4-(acetyloxymethyl)phenyl]azanide is sourced from PubChem (CID 177177546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).