[1-ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol

C8H17NO2 — CID 172620684

IUPAC[1-ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESCCN1CC(CO)C(CO)C1
InChIInChI=1S/C8H17NO2/c1-2-9-3-7(5-10)8(4-9)6-11/h7-8,10-11H,2-6H2,1H3
InChIKeyWLBUMBRSHYAFGS-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.46
Rot. Bonds3

About [1-ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol

[1-ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol (PubChem CID 172620684) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is [1-ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
PubChem CID172620684
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name[1-ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESCCN1CC(CO)C(CO)C1
InChIInChI=1S/C8H17NO2/c1-2-9-3-7(5-10)8(4-9)6-11/h7-8,10-11H,2-6H2,1H3
InChIKeyWLBUMBRSHYAFGS-UHFFFAOYSA-N
XLogP-0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol (CID 172620684) is [1-ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol is CCN1CC(CO)C(CO)C1.
What is the InChIKey of [1-ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The InChIKey is WLBUMBRSHYAFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-9-3-7(5-10)8(4-9)6-11/h7-8,10-11H,2-6H2,1H3.
What are the key properties of [1-ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
[1-ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol has a molecular weight of 159.23 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 [1-ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 172620684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).