1-(2-pyrrolidin-3-ylethoxy)propan-2-ol

C9H19NO2 — CID 106939109

IUPAC1-(2-pyrrolidin-3-ylethoxy)propan-2-ol
SMILESCC(O)COCCC1CCNC1
InChIInChI=1S/C9H19NO2/c1-8(11)7-12-5-3-9-2-4-10-6-9/h8-11H,2-7H2,1H3
InChIKeyOWDPJIMTGKJQON-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.38
Rot. Bonds5

About 1-(2-pyrrolidin-3-ylethoxy)propan-2-ol

1-(2-pyrrolidin-3-ylethoxy)propan-2-ol (PubChem CID 106939109) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(2-pyrrolidin-3-ylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-pyrrolidin-3-ylethoxy)propan-2-ol
PubChem CID106939109
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-(2-pyrrolidin-3-ylethoxy)propan-2-ol
SMILESCC(O)COCCC1CCNC1
InChIInChI=1S/C9H19NO2/c1-8(11)7-12-5-3-9-2-4-10-6-9/h8-11H,2-7H2,1H3
InChIKeyOWDPJIMTGKJQON-UHFFFAOYSA-N
XLogP0.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
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-cyclopropylethoxy)propan-2-ol
CID 106203926
(2S)-1-(2-cyclobutylethoxy)propan-2-ol
CID 106204019
4-pyrrolidin-3-ylbutan-2-ol
CID 82417870
3-(2-propoxyethyl)pyrrolidine
CID 114796170
(3R)-3-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 86324088
1-(piperidin-3-ylmethoxy)propan-2-ol
CID 106937756
3-(2-heptoxyethyl)pyrrolidine
CID 114795978
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
CID 106940991
3-[2-(3-methylbutoxy)ethyl]piperidine
CID 53409519
(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
CID 86320703
3-(2-pyrrolidin-3-ylethoxy)propanamide
CID 114795988
3-[2-(2-ethylsulfanylethoxy)ethyl]pyrrolidine
CID 114796226

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-3-ylethoxy)propan-2-ol?
The IUPAC name of 1-(2-pyrrolidin-3-ylethoxy)propan-2-ol (CID 106939109) is 1-(2-pyrrolidin-3-ylethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-pyrrolidin-3-ylethoxy)propan-2-ol?
The canonical SMILES for 1-(2-pyrrolidin-3-ylethoxy)propan-2-ol is CC(O)COCCC1CCNC1.
What is the InChIKey of 1-(2-pyrrolidin-3-ylethoxy)propan-2-ol?
The InChIKey is OWDPJIMTGKJQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(11)7-12-5-3-9-2-4-10-6-9/h8-11H,2-7H2,1H3.
What are the key properties of 1-(2-pyrrolidin-3-ylethoxy)propan-2-ol?
1-(2-pyrrolidin-3-ylethoxy)propan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-3-ylethoxy)propan-2-ol is sourced from PubChem (CID 106939109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).