[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol

C11H23NO2 — CID 62735847

IUPAC[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol
SMILESCCCCOCCN1CCC[C@@H]1CO
InChIInChI=1S/C11H23NO2/c1-2-3-8-14-9-7-12-6-4-5-11(12)10-13/h11,13H,2-10H2,1H3/t11-/m1/s1
InChIKeyNTMNKJQYLJHIQS-LLVKDONJSA-N
MW201.31 g/mol
LogP1.26
Rot. Bonds7

About [(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol

[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol (PubChem CID 62735847) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is [(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol
PubChem CID62735847
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol
SMILESCCCCOCCN1CCC[C@@H]1CO
InChIInChI=1S/C11H23NO2/c1-2-3-8-14-9-7-12-6-4-5-11(12)10-13/h11,13H,2-10H2,1H3/t11-/m1/s1
InChIKeyNTMNKJQYLJHIQS-LLVKDONJSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-(chloromethyl)pyrrolidine
CID 104567118
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013980
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406
[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol
CID 61355562
[(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol
CID 100627976
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol (CID 62735847) is [(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol is CCCCOCCN1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol?
The InChIKey is NTMNKJQYLJHIQS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-3-8-14-9-7-12-6-4-5-11(12)10-13/h11,13H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol?
[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol has a molecular weight of 201.31 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62735847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).