(4-ethoxypyrrolidin-3-yl)methanol

C7H15NO2 — CID 122164173

IUPAC(4-ethoxypyrrolidin-3-yl)methanol
SMILESCCOC1CNCC1CO
InChIInChI=1S/C7H15NO2/c1-2-10-7-4-8-3-6(7)5-9/h6-9H,2-5H2,1H3
InChIKeyVZJWEPQEIRNGOH-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.40
Rot. Bonds3

About (4-ethoxypyrrolidin-3-yl)methanol

(4-ethoxypyrrolidin-3-yl)methanol (PubChem CID 122164173) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (4-ethoxypyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(4-ethoxypyrrolidin-3-yl)methanol
PubChem CID122164173
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(4-ethoxypyrrolidin-3-yl)methanol
SMILESCCOC1CNCC1CO
InChIInChI=1S/C7H15NO2/c1-2-10-7-4-8-3-6(7)5-9/h6-9H,2-5H2,1H3
InChIKeyVZJWEPQEIRNGOH-UHFFFAOYSA-N
XLogP-0.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-(hydroxymethyl)pyrrolidine-3,4-diol
CID 10654262
4-Methylpyrrolidin-3-ol
CID 19883347
4-(Hydroxymethyl)pyrrolidin-3-ol
CID 21111709
(3R,4R)-(4-Hydroxypyrrolidin-3-yl)methanol
CID 10080382
(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-ol
CID 10606721
(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol
CID 57455337
4-Methoxypyrrolidin-2-ol
CID 163670013
(3-Methoxypyrrolidin-3-yl)methanol
CID 19382188
2-Fluoro-4-(hydroxymethyl)pyrrolidin-3-ol
CID 57439190
(3R,4R)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol
CID 55300157
(3S,4S)-4-fluoro-4-(hydroxymethyl)pyrrolidin-3-ol
CID 131080983
(3S,4S)-3-(hydroxymethyl)pyrrolidine-3,4-diol
CID 10844422

Frequently Asked Questions

What is the IUPAC name of (4-ethoxypyrrolidin-3-yl)methanol?
The IUPAC name of (4-ethoxypyrrolidin-3-yl)methanol (CID 122164173) is (4-ethoxypyrrolidin-3-yl)methanol.
What is the SMILES notation for (4-ethoxypyrrolidin-3-yl)methanol?
The canonical SMILES for (4-ethoxypyrrolidin-3-yl)methanol is CCOC1CNCC1CO.
What is the InChIKey of (4-ethoxypyrrolidin-3-yl)methanol?
The InChIKey is VZJWEPQEIRNGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-10-7-4-8-3-6(7)5-9/h6-9H,2-5H2,1H3.
What are the key properties of (4-ethoxypyrrolidin-3-yl)methanol?
(4-ethoxypyrrolidin-3-yl)methanol has a molecular weight of 145.20 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxypyrrolidin-3-yl)methanol is sourced from PubChem (CID 122164173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).