[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol

C9H19NO2 — CID 129367814

IUPAC[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
SMILESCCOCCN1CC[C@H](CO)C1
InChIInChI=1S/C9H19NO2/c1-2-12-6-5-10-4-3-9(7-10)8-11/h9,11H,2-8H2,1H3/t9-/m0/s1
InChIKeyHBTYRWRXSCBXNT-VIFPVBQESA-N
MW173.26 g/mol
LogP0.34
Rot. Bonds5

About [(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol

[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol (PubChem CID 129367814) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is [(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
PubChem CID129367814
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
SMILESCCOCCN1CC[C@H](CO)C1
InChIInChI=1S/C9H19NO2/c1-2-12-6-5-10-4-3-9(7-10)8-11/h9,11H,2-8H2,1H3/t9-/m0/s1
InChIKeyHBTYRWRXSCBXNT-VIFPVBQESA-N
XLogP0.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.34
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

[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-yl]methanol
CID 103412015
2-[3-(ethoxymethyl)pyrrolidin-1-yl]ethanol
CID 121201448
2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
CID 106456274
3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81490383
2-[2-[4-(ethoxymethyl)piperidin-1-yl]ethoxy]ethanol
CID 111439736
N-[[1-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62511911
[1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 53211509
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
(4aR,8aR)-2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine
CID 177178896
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one
CID 112626363
ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine
CID 177178993

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol (CID 129367814) is [(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol is CCOCCN1CC[C@H](CO)C1.
What is the InChIKey of [(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol?
The InChIKey is HBTYRWRXSCBXNT-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-12-6-5-10-4-3-9(7-10)8-11/h9,11H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of [(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol?
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol has a molecular weight of 173.26 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 129367814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).