[(2S)-1-(114C)methylpyrrolidin-2-yl]methanol

C6H13NO — CID 169020571

IUPAC[(2S)-1-(114C)methylpyrrolidin-2-yl]methanol
SMILES[14CH3]N1CCC[C@H]1CO
InChIInChI=1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m0/s1/i1+2
InChIKeyVCOJPHPOVDIRJK-DDXXZRFXSA-N
MW117.17 g/mol
LogP0.07
Rot. Bonds1

About [(2S)-1-(114C)methylpyrrolidin-2-yl]methanol

[(2S)-1-(114C)methylpyrrolidin-2-yl]methanol (PubChem CID 169020571) has the molecular formula C6H13NO and a molecular weight of 117.17 g/mol. Its IUPAC name is [(2S)-1-(114C)methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(114C)methylpyrrolidin-2-yl]methanol
PubChem CID169020571
Molecular FormulaC6H13NO
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name[(2S)-1-(114C)methylpyrrolidin-2-yl]methanol
SMILES[14CH3]N1CCC[C@H]1CO
InChIInChI=1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m0/s1/i1+2
InChIKeyVCOJPHPOVDIRJK-DDXXZRFXSA-N
XLogP0.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-chloropyrrolidin-2-yl]methanol
CID 89280980
(1-aminopyrrolidin-2-yl)methanol
CID 13311692
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
CID 143951282
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
ethyl-[2-(hydroxymethyl)pyrrolidin-1-yl]tin
CID 174710260
2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid
CID 23110559
[1-(sulfanylmethyl)pyrrolidin-2-yl]methanol
CID 143677973
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
(1-hydroxypiperidin-2-yl)methanol
CID 91286383
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
CID 45088390
[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62736578

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(114C)methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(114C)methylpyrrolidin-2-yl]methanol (CID 169020571) is [(2S)-1-(114C)methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(114C)methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(114C)methylpyrrolidin-2-yl]methanol is [14CH3]N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(114C)methylpyrrolidin-2-yl]methanol?
The InChIKey is VCOJPHPOVDIRJK-DDXXZRFXSA-N. The full InChI is InChI=1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m0/s1/i1+2.
What are the key properties of [(2S)-1-(114C)methylpyrrolidin-2-yl]methanol?
[(2S)-1-(114C)methylpyrrolidin-2-yl]methanol has a molecular weight of 117.17 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(114C)methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 169020571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).