propan-1-ol;2-pyrrolidin-1-ylethanol

C9H21NO2 — CID 174908040

IUPACpropan-1-ol;2-pyrrolidin-1-ylethanol
SMILESCCCO.OCCN1CCCC1
InChIInChI=1S/C6H13NO.C3H8O/c8-6-5-7-3-1-2-4-7;1-2-3-4/h8H,1-6H2;4H,2-3H2,1H3
InChIKeyBSEMDKFTRACCJU-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.46
Rot. Bonds3

About propan-1-ol;2-pyrrolidin-1-ylethanol

propan-1-ol;2-pyrrolidin-1-ylethanol (PubChem CID 174908040) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is propan-1-ol;2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Namepropan-1-ol;2-pyrrolidin-1-ylethanol
PubChem CID174908040
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Namepropan-1-ol;2-pyrrolidin-1-ylethanol
SMILESCCCO.OCCN1CCCC1
InChIInChI=1S/C6H13NO.C3H8O/c8-6-5-7-3-1-2-4-7;1-2-3-4/h8H,1-6H2;4H,2-3H2,1H3
InChIKeyBSEMDKFTRACCJU-UHFFFAOYSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methoxymethane;2-pyrrolidin-1-ylethanol
CID 142059876
bis(2-piperidin-1-ylethanol);dihydroiodide
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methoxyethane;2-pyrrolidin-1-ylethanol
CID 142175082
2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
CID 62021526
2-(4-octyl-1,4-diazepan-1-yl)ethanol
CID 63309782
methanol;1-propylpiperidine
CID 171515121
1-propylpyrrolidine;hydrobromide
CID 173024709
2-(4-ethylpiperazin-1-yl)ethanol;methane
CID 162265705
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol)
CID 161496003
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837

Frequently Asked Questions

What is the IUPAC name of propan-1-ol;2-pyrrolidin-1-ylethanol?
The IUPAC name of propan-1-ol;2-pyrrolidin-1-ylethanol (CID 174908040) is propan-1-ol;2-pyrrolidin-1-ylethanol.
What is the SMILES notation for propan-1-ol;2-pyrrolidin-1-ylethanol?
The canonical SMILES for propan-1-ol;2-pyrrolidin-1-ylethanol is CCCO.OCCN1CCCC1.
What is the InChIKey of propan-1-ol;2-pyrrolidin-1-ylethanol?
The InChIKey is BSEMDKFTRACCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C3H8O/c8-6-5-7-3-1-2-4-7;1-2-3-4/h8H,1-6H2;4H,2-3H2,1H3.
What are the key properties of propan-1-ol;2-pyrrolidin-1-ylethanol?
propan-1-ol;2-pyrrolidin-1-ylethanol has a molecular weight of 175.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-ol;2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 174908040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).