(3-methoxypyrrolidin-3-yl)methanol

C6H13NO2 — CID 19382188

IUPAC(3-methoxypyrrolidin-3-yl)methanol
SMILESCOC1(CO)CCNC1
InChIInChI=1S/C6H13NO2/c1-9-6(5-8)2-3-7-4-6/h7-8H,2-5H2,1H3
InChIKeyIKURSYINBMLFIH-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.64
Rot. Bonds2

About (3-methoxypyrrolidin-3-yl)methanol

(3-methoxypyrrolidin-3-yl)methanol (PubChem CID 19382188) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (3-methoxypyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(3-methoxypyrrolidin-3-yl)methanol
PubChem CID19382188
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(3-methoxypyrrolidin-3-yl)methanol
SMILESCOC1(CO)CCNC1
InChIInChI=1S/C6H13NO2/c1-9-6(5-8)2-3-7-4-6/h7-8H,2-5H2,1H3
InChIKeyIKURSYINBMLFIH-UHFFFAOYSA-N
XLogP-0.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(3R,4R)-4-methoxypyrrolidin-3-ol
CID 9942137
(3R,4R)-3-(hydroxymethyl)pyrrolidine-3,4-diol
CID 10654262
trans-4-Methoxy-3-pyrrolidinol
CID 9877358
3-(Methoxymethyl)pyrrolidin-3-ol
CID 21918851
4-Methoxypyrrolidin-3-ol
CID 22603654
(3-Methoxypyrrolidin-3-yl)methanol hydrochloride
CID 137964288
3-(Hydroxymethyl)pyrrolidin-3-ol hydrochloride
CID 86277019
(4-Ethoxypyrrolidin-3-yl)methanol
CID 122164173
3-(Hydroxymethyl)pyrrolidin-3-ol
CID 71649879
3-[(2-Fluoroethylamino)methyl]oxolan-3-ol
CID 106100438
(3R,4S)-4-Methoxypyrrolidin-3-ol
CID 9855464
(3S,4S)-3-(hydroxymethyl)pyrrolidine-3,4-diol
CID 10844422

Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrrolidin-3-yl)methanol?
The IUPAC name of (3-methoxypyrrolidin-3-yl)methanol (CID 19382188) is (3-methoxypyrrolidin-3-yl)methanol.
What is the SMILES notation for (3-methoxypyrrolidin-3-yl)methanol?
The canonical SMILES for (3-methoxypyrrolidin-3-yl)methanol is COC1(CO)CCNC1.
What is the InChIKey of (3-methoxypyrrolidin-3-yl)methanol?
The InChIKey is IKURSYINBMLFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-9-6(5-8)2-3-7-4-6/h7-8H,2-5H2,1H3.
What are the key properties of (3-methoxypyrrolidin-3-yl)methanol?
(3-methoxypyrrolidin-3-yl)methanol has a molecular weight of 131.18 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrrolidin-3-yl)methanol is sourced from PubChem (CID 19382188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).