[(2S,5S)-5-butylpyrrolidin-2-yl]methanol

C9H19NO — CID 131230214

IUPAC[(2S,5S)-5-butylpyrrolidin-2-yl]methanol
SMILESCCCC[C@H]1CC[C@@H](CO)N1
InChIInChI=1S/C9H19NO/c1-2-3-4-8-5-6-9(7-11)10-8/h8-11H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyJNWXVWDJGMVGTM-IUCAKERBSA-N
MW157.26 g/mol
LogP1.29
Rot. Bonds4

About [(2S,5S)-5-butylpyrrolidin-2-yl]methanol

[(2S,5S)-5-butylpyrrolidin-2-yl]methanol (PubChem CID 131230214) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [(2S,5S)-5-butylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-butylpyrrolidin-2-yl]methanol
PubChem CID131230214
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[(2S,5S)-5-butylpyrrolidin-2-yl]methanol
SMILESCCCC[C@H]1CC[C@@H](CO)N1
InChIInChI=1S/C9H19NO/c1-2-3-4-8-5-6-9(7-11)10-8/h8-11H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyJNWXVWDJGMVGTM-IUCAKERBSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
CID 44889697
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
(2R,5R)-2-pentyl-5-propylpyrrolidine
CID 10846548
(2S,5S)-2-ethyl-5-pentylpyrrolidine
CID 71392396
(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
(2R)-2,5-dipropylpyrrolidine
CID 143543976
2-[5-(2-hydroxyethyl)pyrrolidin-2-yl]ethanol
CID 123879549
(2S,5R)-2-methyl-5-pentadecylpyrrolidine
CID 15722672
(2S,5S)-2-methyl-5-nonylpyrrolidine
CID 15722669
2-heptyl-5-hex-5-enylpyrrolidine
CID 592536
5-heptylpyrrolidine-2-carboxylic acid
CID 112574667

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-butylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-butylpyrrolidin-2-yl]methanol (CID 131230214) is [(2S,5S)-5-butylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-butylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-butylpyrrolidin-2-yl]methanol is CCCC[C@H]1CC[C@@H](CO)N1.
What is the InChIKey of [(2S,5S)-5-butylpyrrolidin-2-yl]methanol?
The InChIKey is JNWXVWDJGMVGTM-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-3-4-8-5-6-9(7-11)10-8/h8-11H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of [(2S,5S)-5-butylpyrrolidin-2-yl]methanol?
[(2S,5S)-5-butylpyrrolidin-2-yl]methanol has a molecular weight of 157.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-butylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 131230214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).