[(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol

C11H23NO — CID 82929584

IUPAC[(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol
SMILESCCC(CC)CN1CCC[C@H]1CO
InChIInChI=1S/C11H23NO/c1-3-10(4-2)8-12-7-5-6-11(12)9-13/h10-11,13H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyLVWZEODUWBSXNZ-NSHDSACASA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds5

About [(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol

[(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol (PubChem CID 82929584) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol
PubChem CID82929584
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol
SMILESCCC(CC)CN1CCC[C@H]1CO
InChIInChI=1S/C11H23NO/c1-3-10(4-2)8-12-7-5-6-11(12)9-13/h10-11,13H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyLVWZEODUWBSXNZ-NSHDSACASA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(2-methylbutyl)pyrrolidin-2-yl]methanol
CID 79028743
[1-(2-ethylhexyl)piperidin-2-yl]methanol
CID 62021752
[(2S)-1-(2-methylidenebutyl)pyrrolidin-2-yl]methanol
CID 66261614
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 63978859
1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol
CID 104627949
(1-ethylazepan-2-yl)methanol
CID 2849413
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
[1-(sulfanylmethyl)pyrrolidin-2-yl]methanol
CID 143677973
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 63932738
N-butan-2-yl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733673
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol
CID 102119727

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol (CID 82929584) is [(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol is CCC(CC)CN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol?
The InChIKey is LVWZEODUWBSXNZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H23NO/c1-3-10(4-2)8-12-7-5-6-11(12)9-13/h10-11,13H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of [(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-ethylbutyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 82929584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).