ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol

C9H21NO2 — CID 164870297

IUPACethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCC.CN1CCC(CO)(CO)C1
InChIInChI=1S/C7H15NO2.C2H6/c1-8-3-2-7(4-8,5-9)6-10;1-2/h9-10H,2-6H2,1H3;1-2H3
InChIKeyXAVBZXPUHWLRQE-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.32
Rot. Bonds2

About ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol

ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol (PubChem CID 164870297) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Nameethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol
PubChem CID164870297
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Nameethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCC.CN1CCC(CO)(CO)C1
InChIInChI=1S/C7H15NO2.C2H6/c1-8-3-2-7(4-8,5-9)6-10;1-2/h9-10H,2-6H2,1H3;1-2H3
InChIKeyXAVBZXPUHWLRQE-UHFFFAOYSA-N
XLogP0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-3-(Pyrrolidin-1-Yl)Propan-1-Ol
CID 268115
N-isopentyl-3-hydroxymethylpyrrolidine
CID 10241251
2-[(Dimethylamino)methyl]-2-ethylpropane-1,3-diol
CID 117672
2-Methyl-4-(3-methyl-1-pyrrolidinyl)-1-butanol
CID 10057969
[3-Methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanol
CID 83915831
[1-Ethyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 105450504
[1-(2,2-Dimethylpropyl)-3-fluoropyrrolidin-3-yl]methanol
CID 130677437
[1-(2-Fluoroethyl)-3-methylpyrrolidin-3-yl]methanol
CID 130684690
[3-Fluoro-1-[(1-methylcyclopropyl)methyl]pyrrolidin-3-yl]methanol
CID 130693423
[1-(2,2-Difluoroethyl)-3-methylpyrrolidin-3-yl]methanol
CID 130734728
(3-Fluoro-1-propylpyrrolidin-3-yl)methanol
CID 130754689
[1-(2-Methoxyethyl)-3-methylpyrrolidin-3-yl]methanol
CID 296278

Frequently Asked Questions

What is the IUPAC name of ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol?
The IUPAC name of ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol (CID 164870297) is ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol is CC.CN1CCC(CO)(CO)C1.
What is the InChIKey of ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol?
The InChIKey is XAVBZXPUHWLRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C2H6/c1-8-3-2-7(4-8,5-9)6-10;1-2/h9-10H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol?
ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol has a molecular weight of 175.27 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-(hydroxymethyl)-1-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 164870297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).