1-(5-methoxypyrrolidin-3-yl)propan-2-ol

C8H17NO2 — CID 70400411

IUPAC1-(5-methoxypyrrolidin-3-yl)propan-2-ol
SMILESCOC1CC(CC(C)O)CN1
InChIInChI=1S/C8H17NO2/c1-6(10)3-7-4-8(11-2)9-5-7/h6-10H,3-5H2,1-2H3
InChIKeyADMJAJHIGFJJDA-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.34
Rot. Bonds3

About 1-(5-methoxypyrrolidin-3-yl)propan-2-ol

1-(5-methoxypyrrolidin-3-yl)propan-2-ol (PubChem CID 70400411) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(5-methoxypyrrolidin-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-methoxypyrrolidin-3-yl)propan-2-ol
PubChem CID70400411
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(5-methoxypyrrolidin-3-yl)propan-2-ol
SMILESCOC1CC(CC(C)O)CN1
InChIInChI=1S/C8H17NO2/c1-6(10)3-7-4-8(11-2)9-5-7/h6-10H,3-5H2,1-2H3
InChIKeyADMJAJHIGFJJDA-UHFFFAOYSA-N
XLogP0.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypyrrolidin-3-yl)propan-2-ol?
The IUPAC name of 1-(5-methoxypyrrolidin-3-yl)propan-2-ol (CID 70400411) is 1-(5-methoxypyrrolidin-3-yl)propan-2-ol.
What is the SMILES notation for 1-(5-methoxypyrrolidin-3-yl)propan-2-ol?
The canonical SMILES for 1-(5-methoxypyrrolidin-3-yl)propan-2-ol is COC1CC(CC(C)O)CN1.
What is the InChIKey of 1-(5-methoxypyrrolidin-3-yl)propan-2-ol?
The InChIKey is ADMJAJHIGFJJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(10)3-7-4-8(11-2)9-5-7/h6-10H,3-5H2,1-2H3.
What are the key properties of 1-(5-methoxypyrrolidin-3-yl)propan-2-ol?
1-(5-methoxypyrrolidin-3-yl)propan-2-ol has a molecular weight of 159.23 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypyrrolidin-3-yl)propan-2-ol is sourced from PubChem (CID 70400411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).