2-[2-(hydroxy-methoxy-pyrrolidin-2-ylmethyl)pyrrolidin-1-yl]ethanol

C12H24N2O3 — CID 173196388

IUPAC2-[2-(hydroxy-methoxy-pyrrolidin-2-ylmethyl)pyrrolidin-1-yl]ethanol
SMILESCOC(O)(C1CCCN1)C1CCCN1CCO
InChIInChI=1S/C12H24N2O3/c1-17-12(16,10-4-2-6-13-10)11-5-3-7-14(11)8-9-15/h10-11,13,15-16H,2-9H2,1H3
InChIKeyKIYDWXWGDSAXDY-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.47
Rot. Bonds5

About 2-[2-(hydroxy-methoxy-pyrrolidin-2-ylmethyl)pyrrolidin-1-yl]ethanol

2-[2-(hydroxy-methoxy-pyrrolidin-2-ylmethyl)pyrrolidin-1-yl]ethanol (PubChem CID 173196388) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[2-(hydroxy-methoxy-pyrrolidin-2-ylmethyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(hydroxy-methoxy-pyrrolidin-2-ylmethyl)pyrrolidin-1-yl]ethanol
PubChem CID173196388
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[2-(hydroxy-methoxy-pyrrolidin-2-ylmethyl)pyrrolidin-1-yl]ethanol
SMILESCOC(O)(C1CCCN1)C1CCCN1CCO
InChIInChI=1S/C12H24N2O3/c1-17-12(16,10-4-2-6-13-10)11-5-3-7-14(11)8-9-15/h10-11,13,15-16H,2-9H2,1H3
InChIKeyKIYDWXWGDSAXDY-UHFFFAOYSA-N
XLogP-0.47
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxy-methoxy-pyrrolidin-2-ylmethyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[2-(hydroxy-methoxy-pyrrolidin-2-ylmethyl)pyrrolidin-1-yl]ethanol (CID 173196388) is 2-[2-(hydroxy-methoxy-pyrrolidin-2-ylmethyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[2-(hydroxy-methoxy-pyrrolidin-2-ylmethyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[2-(hydroxy-methoxy-pyrrolidin-2-ylmethyl)pyrrolidin-1-yl]ethanol is COC(O)(C1CCCN1)C1CCCN1CCO.
What is the InChIKey of 2-[2-(hydroxy-methoxy-pyrrolidin-2-ylmethyl)pyrrolidin-1-yl]ethanol?
The InChIKey is KIYDWXWGDSAXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-17-12(16,10-4-2-6-13-10)11-5-3-7-14(11)8-9-15/h10-11,13,15-16H,2-9H2,1H3.
What are the key properties of 2-[2-(hydroxy-methoxy-pyrrolidin-2-ylmethyl)pyrrolidin-1-yl]ethanol?
2-[2-(hydroxy-methoxy-pyrrolidin-2-ylmethyl)pyrrolidin-1-yl]ethanol has a molecular weight of 244.33 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxy-methoxy-pyrrolidin-2-ylmethyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 173196388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).