(3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone

C11H20N2O4 — CID 103533223

IUPAC(3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
SMILESCOC1CN(C(=O)C2CC(O)CN2)CC1OC
InChIInChI=1S/C11H20N2O4/c1-16-9-5-13(6-10(9)17-2)11(15)8-3-7(14)4-12-8/h7-10,12,14H,3-6H2,1-2H3
InChIKeyCZUYZLSBWSFAIU-UHFFFAOYSA-N
MW244.29 g/mol
LogP-1.42
Rot. Bonds3

About (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone

(3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone (PubChem CID 103533223) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
PubChem CID103533223
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
SMILESCOC1CN(C(=O)C2CC(O)CN2)CC1OC
InChIInChI=1S/C11H20N2O4/c1-16-9-5-13(6-10(9)17-2)11(15)8-3-7(14)4-12-8/h7-10,12,14H,3-6H2,1-2H3
InChIKeyCZUYZLSBWSFAIU-UHFFFAOYSA-N
XLogP-1.42
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone (CID 103533223) is (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The canonical SMILES for (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone is COC1CN(C(=O)C2CC(O)CN2)CC1OC.
What is the InChIKey of (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The InChIKey is CZUYZLSBWSFAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-16-9-5-13(6-10(9)17-2)11(15)8-3-7(14)4-12-8/h7-10,12,14H,3-6H2,1-2H3.
What are the key properties of (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
(3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone has a molecular weight of 244.29 g/mol, XLogP of -1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxypyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 103533223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).