ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol

C9H21NO2 — CID 143249605

IUPACethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
SMILESCC.OCCN1CCCC1CO
InChIInChI=1S/C7H15NO2.C2H6/c9-5-4-8-3-1-2-7(8)6-10;1-2/h7,9-10H,1-6H2;1-2H3
InChIKeyMGFYIIJUBLCIKE-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.46
Rot. Bonds3

About ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol

ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol (PubChem CID 143249605) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Nameethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
PubChem CID143249605
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Nameethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
SMILESCC.OCCN1CCCC1CO
InChIInChI=1S/C7H15NO2.C2H6/c9-5-4-8-3-1-2-7(8)6-10;1-2/h7,9-10H,1-6H2;1-2H3
InChIKeyMGFYIIJUBLCIKE-UHFFFAOYSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
CID 164922093
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
[(2R)-1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 115277584
[1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 115613879
[(2R)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 66262417
[(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 103857733
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
[(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol
CID 102977101
[(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 6931395

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol (CID 143249605) is ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol is CC.OCCN1CCCC1CO.
What is the InChIKey of ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
The InChIKey is MGFYIIJUBLCIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C2H6/c9-5-4-8-3-1-2-7(8)6-10;1-2/h7,9-10H,1-6H2;1-2H3.
What are the key properties of ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol has a molecular weight of 175.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 143249605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).