(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone

C11H20N2O3 — CID 103355900

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)N2CCC(C)(O)C2)C1
InChIInChI=1S/C11H20N2O3/c1-11(15)3-4-13(7-11)10(14)9-5-8(16-2)6-12-9/h8-9,12,15H,3-7H2,1-2H3
InChIKeyJBRVGELQOOGBOR-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.65
Rot. Bonds2

About (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone (PubChem CID 103355900) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
PubChem CID103355900
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)N2CCC(C)(O)C2)C1
InChIInChI=1S/C11H20N2O3/c1-11(15)3-4-13(7-11)10(14)9-5-8(16-2)6-12-9/h8-9,12,15H,3-7H2,1-2H3
InChIKeyJBRVGELQOOGBOR-UHFFFAOYSA-N
XLogP-0.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone (CID 103355900) is (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone is COC1CNC(C(=O)N2CCC(C)(O)C2)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The InChIKey is JBRVGELQOOGBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(15)3-4-13(7-11)10(14)9-5-8(16-2)6-12-9/h8-9,12,15H,3-7H2,1-2H3.
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone has a molecular weight of 228.29 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 103355900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).