[(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol

C8H17NO — CID 169020554

IUPAC[(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol
SMILES[2H]C([2H])([2H])C([2H])(N1CCC[C@H]1CO)C([2H])([2H])[2H]
InChIInChI=1S/C8H17NO/c1-7(2)9-5-3-4-8(9)6-10/h7-8,10H,3-6H2,1-2H3/t8-/m0/s1/i1D3,2D3,7D
InChIKeyXJCUYISZYNEDKN-JMNAMWTNSA-N
MW150.27 g/mol
LogP0.85
Rot. Bonds4

About [(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol

[(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol (PubChem CID 169020554) has the molecular formula C8H17NO and a molecular weight of 150.27 g/mol. Its IUPAC name is [(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol
PubChem CID169020554
Molecular FormulaC8H17NO
Molecular Weight150.27 g/mol
Exact Mass150.17
IUPAC Name[(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol
SMILES[2H]C([2H])([2H])C([2H])(N1CCC[C@H]1CO)C([2H])([2H])[2H]
InChIInChI=1S/C8H17NO/c1-7(2)9-5-3-4-8(9)6-10/h7-8,10H,3-6H2,1-2H3/t8-/m0/s1/i1D3,2D3,7D
InChIKeyXJCUYISZYNEDKN-JMNAMWTNSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-methoxyethyl)pyrrolidin-2-yl]methanol
CID 89040674
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407767
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pentanenitrile
CID 66260989
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile
CID 63090584
(3R)-4-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-2-one
CID 54525823
N-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62015104
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutanoic acid
CID 61407625
2-[2-(hydroxymethyl)pyrrolidin-1-yl]butanehydrazide
CID 63584047
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 62014138
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62015297
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide
CID 66260630

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol (CID 169020554) is [(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol is [2H]C([2H])([2H])C([2H])(N1CCC[C@H]1CO)C([2H])([2H])[2H].
What is the InChIKey of [(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol?
The InChIKey is XJCUYISZYNEDKN-JMNAMWTNSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)9-5-3-4-8(9)6-10/h7-8,10H,3-6H2,1-2H3/t8-/m0/s1/i1D3,2D3,7D.
What are the key properties of [(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol?
[(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol has a molecular weight of 150.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 169020554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).