2-(1-pentylpyrrolidin-2-yl)ethanol

C11H23NO — CID 117028513

IUPAC2-(1-pentylpyrrolidin-2-yl)ethanol
SMILESCCCCCN1CCCC1CCO
InChIInChI=1S/C11H23NO/c1-2-3-4-8-12-9-5-6-11(12)7-10-13/h11,13H,2-10H2,1H3
InChIKeyNFTRQENEIHYENA-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.02
Rot. Bonds6

About 2-(1-pentylpyrrolidin-2-yl)ethanol

2-(1-pentylpyrrolidin-2-yl)ethanol (PubChem CID 117028513) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(1-pentylpyrrolidin-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-pentylpyrrolidin-2-yl)ethanol
PubChem CID117028513
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(1-pentylpyrrolidin-2-yl)ethanol
SMILESCCCCCN1CCCC1CCO
InChIInChI=1S/C11H23NO/c1-2-3-4-8-12-9-5-6-11(12)7-10-13/h11,13H,2-10H2,1H3
InChIKeyNFTRQENEIHYENA-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-octylpiperidin-2-yl)ethanol
CID 62020097
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
1-pentyl-2-propylpiperidine
CID 54429991
3-(1-pentylpyrrolidin-2-yl)propan-1-amine
CID 63762476
2-butyl-1-dodecylpyrrolidine;formonitrile
CID 175874902
6-[2-(2-hydroxyethyl)piperidin-1-yl]hexan-1-ol
CID 103737919
2-butyl-1-hexylpiperidine
CID 171569565
2-ethyl-1-undecylpyrrolidine
CID 171569857
2-(3-chloropropyl)-1-decylpyrrolidine
CID 63388574

Frequently Asked Questions

What is the IUPAC name of 2-(1-pentylpyrrolidin-2-yl)ethanol?
The IUPAC name of 2-(1-pentylpyrrolidin-2-yl)ethanol (CID 117028513) is 2-(1-pentylpyrrolidin-2-yl)ethanol.
What is the SMILES notation for 2-(1-pentylpyrrolidin-2-yl)ethanol?
The canonical SMILES for 2-(1-pentylpyrrolidin-2-yl)ethanol is CCCCCN1CCCC1CCO.
What is the InChIKey of 2-(1-pentylpyrrolidin-2-yl)ethanol?
The InChIKey is NFTRQENEIHYENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-3-4-8-12-9-5-6-11(12)7-10-13/h11,13H,2-10H2,1H3.
What are the key properties of 2-(1-pentylpyrrolidin-2-yl)ethanol?
2-(1-pentylpyrrolidin-2-yl)ethanol has a molecular weight of 185.31 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pentylpyrrolidin-2-yl)ethanol is sourced from PubChem (CID 117028513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).