potassium;ethane;[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopropyl]methanolate

C12H24KNO — CID 169255728

IUPACpotassium;ethane;[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopropyl]methanolate
SMILESCC.CC1CCN(CC2(C[O-])CC2)C1.[K+]
InChIInChI=1S/C10H18NO.C2H6.K/c1-9-2-5-11(6-9)7-10(8-12)3-4-10;1-2;/h9H,2-8H2,1H3;1-2H3;/q-1;;+1
InChIKeyNRYOFTBFGBXMHY-UHFFFAOYSA-N
MW237.43 g/mol
LogP-1.50
Rot. Bonds3

About potassium;ethane;[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopropyl]methanolate

potassium;ethane;[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopropyl]methanolate (PubChem CID 169255728) has the molecular formula C12H24KNO and a molecular weight of 237.43 g/mol. Its IUPAC name is potassium;ethane;[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopropyl]methanolate.

Molecular Properties

Compound Namepotassium;ethane;[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopropyl]methanolate
PubChem CID169255728
Molecular FormulaC12H24KNO
Molecular Weight237.43 g/mol
Exact Mass237.15
IUPAC Namepotassium;ethane;[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopropyl]methanolate
SMILESCC.CC1CCN(CC2(C[O-])CC2)C1.[K+]
InChIInChI=1S/C10H18NO.C2H6.K/c1-9-2-5-11(6-9)7-10(8-12)3-4-10;1-2;/h9H,2-8H2,1H3;1-2H3;/q-1;;+1
InChIKeyNRYOFTBFGBXMHY-UHFFFAOYSA-N
XLogP-1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 5-1.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 164878349
[1-(Pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite
CID 164878789
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine
CID 164904090
(3R)-3-fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 167190956
(3S)-3-fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 167254755
(3S)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
CID 169255798
Ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
CID 169255911
3-Fluoro-1-[[1-(propoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 169572965
(3R)-1-[[1-(methoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
CID 170342793
3,4-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 170601618
[1-[[Ethyl(propyl)amino]methyl]cyclopropyl]methyl hypofluorite
CID 170772014
Potassium;[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanolate;ethane
CID 172328587

Frequently Asked Questions

What is the IUPAC name of potassium;ethane;[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopropyl]methanolate?
The IUPAC name of potassium;ethane;[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopropyl]methanolate (CID 169255728) is potassium;ethane;[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopropyl]methanolate.
What is the SMILES notation for potassium;ethane;[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopropyl]methanolate?
The canonical SMILES for potassium;ethane;[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopropyl]methanolate is CC.CC1CCN(CC2(C[O-])CC2)C1.[K+].
What is the InChIKey of potassium;ethane;[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopropyl]methanolate?
The InChIKey is NRYOFTBFGBXMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO.C2H6.K/c1-9-2-5-11(6-9)7-10(8-12)3-4-10;1-2;/h9H,2-8H2,1H3;1-2H3;/q-1;;+1.
What are the key properties of potassium;ethane;[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopropyl]methanolate?
potassium;ethane;[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopropyl]methanolate has a molecular weight of 237.43 g/mol, XLogP of -1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethane;[1-[(3-methylpyrrolidin-1-yl)methyl]cyclopropyl]methanolate is sourced from PubChem (CID 169255728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).