[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol

C9H19NO2 — CID 42258716

IUPAC[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol
SMILESCOCCCN1CC[C@@H](CO)C1
InChIInChI=1S/C9H19NO2/c1-12-6-2-4-10-5-3-9(7-10)8-11/h9,11H,2-8H2,1H3/t9-/m1/s1
InChIKeyWIXZKMLIHMLAIG-SECBINFHSA-N
MW173.26 g/mol
LogP0.34
Rot. Bonds5

About [(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol

[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol (PubChem CID 42258716) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is [(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol
PubChem CID42258716
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol
SMILESCOCCCN1CC[C@@H](CO)C1
InChIInChI=1S/C9H19NO2/c1-12-6-2-4-10-5-3-9(7-10)8-11/h9,11H,2-8H2,1H3/t9-/m1/s1
InChIKeyWIXZKMLIHMLAIG-SECBINFHSA-N
XLogP0.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol (CID 42258716) is [(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol is COCCCN1CC[C@@H](CO)C1.
What is the InChIKey of [(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol?
The InChIKey is WIXZKMLIHMLAIG-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO2/c1-12-6-2-4-10-5-3-9(7-10)8-11/h9,11H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of [(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol?
[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol has a molecular weight of 173.26 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 42258716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).