(1S)-1-pyrrolidin-1-ylethane-1,2-diol

C6H13NO2 — CID 143982374

IUPAC(1S)-1-pyrrolidin-1-ylethane-1,2-diol
SMILESOC[C@H](O)N1CCCC1
InChIInChI=1S/C6H13NO2/c8-5-6(9)7-3-1-2-4-7/h6,8-9H,1-5H2/t6-/m0/s1
InChIKeyMGRMEQYGZPAYFQ-LURJTMIESA-N
MW131.17 g/mol
LogP-0.61
Rot. Bonds2

About (1S)-1-pyrrolidin-1-ylethane-1,2-diol

(1S)-1-pyrrolidin-1-ylethane-1,2-diol (PubChem CID 143982374) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (1S)-1-pyrrolidin-1-ylethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-pyrrolidin-1-ylethane-1,2-diol
PubChem CID143982374
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(1S)-1-pyrrolidin-1-ylethane-1,2-diol
SMILESOC[C@H](O)N1CCCC1
InChIInChI=1S/C6H13NO2/c8-5-6(9)7-3-1-2-4-7/h6,8-9H,1-5H2/t6-/m0/s1
InChIKeyMGRMEQYGZPAYFQ-LURJTMIESA-N
XLogP-0.61
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-pyrrolidin-1-ylethanol
CID 70023810
3-amino-1-pyrrolidin-1-ylpropan-1-ol
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1-(azepan-1-yl)-3-bromopropan-1-ol
CID 91001208
methanol;2-pyrrolidin-1-ylpropan-1-ol
CID 172620475
3-amino-2-(azocan-1-yl)propan-1-ol
CID 104710806
amino(pyrrolidin-1-yl)methanol
CID 57207139
2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride
CID 70255948
2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol
CID 58861594
2-(azepan-1-yl)-4-methylpentan-1-ol
CID 104549268
2-cyclohexyl-2-pyrrolidin-1-ylethanol
CID 116860389
(1S)-1-piperidin-1-ylethanol
CID 86312531
amino(piperidin-1-yl)methanol
CID 91080151

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyrrolidin-1-ylethane-1,2-diol?
The IUPAC name of (1S)-1-pyrrolidin-1-ylethane-1,2-diol (CID 143982374) is (1S)-1-pyrrolidin-1-ylethane-1,2-diol.
What is the SMILES notation for (1S)-1-pyrrolidin-1-ylethane-1,2-diol?
The canonical SMILES for (1S)-1-pyrrolidin-1-ylethane-1,2-diol is OC[C@H](O)N1CCCC1.
What is the InChIKey of (1S)-1-pyrrolidin-1-ylethane-1,2-diol?
The InChIKey is MGRMEQYGZPAYFQ-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2/c8-5-6(9)7-3-1-2-4-7/h6,8-9H,1-5H2/t6-/m0/s1.
What are the key properties of (1S)-1-pyrrolidin-1-ylethane-1,2-diol?
(1S)-1-pyrrolidin-1-ylethane-1,2-diol has a molecular weight of 131.17 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyrrolidin-1-ylethane-1,2-diol is sourced from PubChem (CID 143982374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).