rac-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol

C6H13NO2 — CID 53410317

IUPAC[4-(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESC1C(C(CN1)CO)CO
InChIInChI=1S/C6H13NO2/c8-3-5-1-7-2-6(5)4-9/h5-9H,1-4H2
InChIKeyZRERAZQFEFFXSJ-UHFFFAOYSA-N
MW131.17 g/mol
LogP-1.30
Rot. Bonds2

About rac-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol

rac-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol (PubChem CID 53410317) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is [4-(hydroxymethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Namerac-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
PubChem CID53410317
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name[4-(hydroxymethyl)pyrrolidin-3-yl]methanol
SMILESC1C(C(CN1)CO)CO
InChIInChI=1S/C6H13NO2/c8-3-5-1-7-2-6(5)4-9/h5-9H,1-4H2
InChIKeyZRERAZQFEFFXSJ-UHFFFAOYSA-N
XLogP-1.30
TPSA52.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity77

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

D-beta-Prolinol
CID 7446913
(Pyrrolidin-3-yl)methanol
CID 13400657
(2-Oxa-6-azaspiro(3.4)octan-8-yl)methanol
CID 134828577
cis-Pyrrolidine-3,4-diyldimethanol
CID 16726851
4-(Hydroxymethyl)pyrrolidin-3-ol
CID 21111709
(3-(Hydroxymethyl)pyrrolidin-3-yl)methanol
CID 22359935
(Pyrrolidin-3-yl)methanol hydrochloride
CID 23080030
(3S)-pyrrolidin-3-ylmethanol hydrochloride
CID 43810917
(3R)-pyrrolidin-3-ylmethanol hydrochloride
CID 43810918
rel-(3R,4R)-4-Methyl-3-pyrrolidinemethanol
CID 46835700
rac-[(3R,4R)-4-methylpyrrolidin-3-yl]methanol
CID 49757939
rac-((3R,4R)-4-(trifluoromethyl)pyrrolidin-3-yl)methanol
CID 70207388

Frequently Asked Questions

What is the IUPAC name of rac-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of rac-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol (CID 53410317) is [4-(hydroxymethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for rac-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for rac-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol is C1C(C(CN1)CO)CO.
What is the InChIKey of rac-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
The InChIKey is ZRERAZQFEFFXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c8-3-5-1-7-2-6(5)4-9/h5-9H,1-4H2.
What are the key properties of rac-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol?
rac-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol has a molecular weight of 131.17 g/mol, XLogP of -1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for rac-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 53410317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).