ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol

C8H19NO2 — CID 142979346

IUPACethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
SMILESCC.CN1C[C@H](O)C[C@@H]1CO
InChIInChI=1S/C6H13NO2.C2H6/c1-7-3-6(9)2-5(7)4-8;1-2/h5-6,8-9H,2-4H2,1H3;1-2H3/t5-,6-;/m1./s1
InChIKeyUVEJZHNFZCZDAW-KGZKBUQUSA-N
MW161.25 g/mol
LogP0.07
Rot. Bonds1

About ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol

ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol (PubChem CID 142979346) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
PubChem CID142979346
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Nameethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
SMILESCC.CN1C[C@H](O)C[C@@H]1CO
InChIInChI=1S/C6H13NO2.C2H6/c1-7-3-6(9)2-5(7)4-8;1-2/h5-6,8-9H,2-4H2,1H3;1-2H3/t5-,6-;/m1./s1
InChIKeyUVEJZHNFZCZDAW-KGZKBUQUSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride
CID 133109107
[(2S,4R)-1-methyl-4-nitrosopyrrolidin-2-yl]methanol
CID 88534958
(3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol
CID 169224677
CID 59969699
CID 59969699
(3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 59596527
[(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 170901141
1,4-dimethylpiperazine;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-ol;tris(1-methylpiperidine);1-methylpyrrolidine
CID 160662524
(3R,5S)-1-hexadecyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 156737514
(3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 130621127
(3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol
CID 126987725
(3S,5S)-1,5-dimethylpyrrolidin-3-ol
CID 59896080
tert-butyl (2R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 54350495

Frequently Asked Questions

What is the IUPAC name of ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol (CID 142979346) is ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol is CC.CN1C[C@H](O)C[C@@H]1CO.
What is the InChIKey of ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol?
The InChIKey is UVEJZHNFZCZDAW-KGZKBUQUSA-N. The full InChI is InChI=1S/C6H13NO2.C2H6/c1-7-3-6(9)2-5(7)4-8;1-2/h5-6,8-9H,2-4H2,1H3;1-2H3/t5-,6-;/m1./s1.
What are the key properties of ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol?
ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol has a molecular weight of 161.25 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 142979346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).