potassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate

C15H29KNO2+ — CID 171431775

IUPACpotassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate
SMILESC[N+]1(CCCCCCCCCC(=O)[O-])CCCC1.[K+]
InChIInChI=1S/C15H29NO2.K/c1-16(13-9-10-14-16)12-8-6-4-2-3-5-7-11-15(17)18;/h2-14H2,1H3;/q;+1
InChIKeyKLUPHDWMVUQKNP-UHFFFAOYSA-N
MW294.50 g/mol
LogP-0.90
Rot. Bonds10

About potassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate

potassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate (PubChem CID 171431775) has the molecular formula C15H29KNO2+ and a molecular weight of 294.50 g/mol. Its IUPAC name is potassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate.

Molecular Properties

Compound Namepotassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate
PubChem CID171431775
Molecular FormulaC15H29KNO2+
Molecular Weight294.50 g/mol
Exact Mass294.18
IUPAC Namepotassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate
SMILESC[N+]1(CCCCCCCCCC(=O)[O-])CCCC1.[K+]
InChIInChI=1S/C15H29NO2.K/c1-16(13-9-10-14-16)12-8-6-4-2-3-5-7-11-15(17)18;/h2-14H2,1H3;/q;+1
InChIKeyKLUPHDWMVUQKNP-UHFFFAOYSA-N
XLogP-0.90
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.50
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-heptyl-1-methylpyrrolidin-1-ium acetate
CID 171569618
1-methyl-1-[16-(1-methylpyrrolidin-1-ium-1-yl)hexadecyl]pyrrolidin-1-ium
CID 10650384
1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium
CID 3048054
1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide
CID 156595016
1-methyl-1-[6-(1-methylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium dihydroxide
CID 156717813
dipotassium;octadecanedioate
CID 141466899
10-(1-methylpiperidin-1-ium-1-yl)decan-1-ol
CID 89438831
tridecanedioate
CID 6994474
4-(1-methylpyrrolidin-1-ium-1-yl)butan-1-ol
CID 68798681
1-methyl-1-nonylpyrrolidin-1-ium
CID 66835403
6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide
CID 89439291
N,N'-bis[2-(1-methylazepan-1-ium-1-yl)ethyl]octanediamide
CID 3145060

Frequently Asked Questions

What is the IUPAC name of potassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate?
The IUPAC name of potassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate (CID 171431775) is potassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate.
What is the SMILES notation for potassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate?
The canonical SMILES for potassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate is C[N+]1(CCCCCCCCCC(=O)[O-])CCCC1.[K+].
What is the InChIKey of potassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate?
The InChIKey is KLUPHDWMVUQKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2.K/c1-16(13-9-10-14-16)12-8-6-4-2-3-5-7-11-15(17)18;/h2-14H2,1H3;/q;+1.
What are the key properties of potassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate?
potassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate has a molecular weight of 294.50 g/mol, XLogP of -0.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate is sourced from PubChem (CID 171431775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).