4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol

C10H20N2O3 — CID 103533926

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol
SMILESCOC1CN(C2CNCC2O)CC1OC
InChIInChI=1S/C10H20N2O3/c1-14-9-5-12(6-10(9)15-2)7-3-11-4-8(7)13/h7-11,13H,3-6H2,1-2H3
InChIKeyIUCSMYMSBJHDCS-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.34
Rot. Bonds3

About 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol

4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol (PubChem CID 103533926) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol
PubChem CID103533926
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol
SMILESCOC1CN(C2CNCC2O)CC1OC
InChIInChI=1S/C10H20N2O3/c1-14-9-5-12(6-10(9)15-2)7-3-11-4-8(7)13/h7-11,13H,3-6H2,1-2H3
InChIKeyIUCSMYMSBJHDCS-UHFFFAOYSA-N
XLogP-1.34
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol (CID 103533926) is 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol is COC1CN(C2CNCC2O)CC1OC.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol?
The InChIKey is IUCSMYMSBJHDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-14-9-5-12(6-10(9)15-2)7-3-11-4-8(7)13/h7-11,13H,3-6H2,1-2H3.
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol?
4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol has a molecular weight of 216.28 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 103533926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).