(4-methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone

C11H19NO3 — CID 107138329

IUPAC(4-methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone
SMILESCOC1CNC(C(=O)C2CCCOC2)C1
InChIInChI=1S/C11H19NO3/c1-14-9-5-10(12-6-9)11(13)8-3-2-4-15-7-8/h8-10,12H,2-7H2,1H3
InChIKeyFPAISFVHPXHOEH-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.36
Rot. Bonds3

About (4-methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone

(4-methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone (PubChem CID 107138329) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (4-methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone
PubChem CID107138329
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(4-methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone
SMILESCOC1CNC(C(=O)C2CCCOC2)C1
InChIInChI=1S/C11H19NO3/c1-14-9-5-10(12-6-9)11(13)8-3-2-4-15-7-8/h8-10,12H,2-7H2,1H3
InChIKeyFPAISFVHPXHOEH-UHFFFAOYSA-N
XLogP0.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone?
The IUPAC name of (4-methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone (CID 107138329) is (4-methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone.
What is the SMILES notation for (4-methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone?
The canonical SMILES for (4-methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone is COC1CNC(C(=O)C2CCCOC2)C1.
What is the InChIKey of (4-methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone?
The InChIKey is FPAISFVHPXHOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-14-9-5-10(12-6-9)11(13)8-3-2-4-15-7-8/h8-10,12H,2-7H2,1H3.
What are the key properties of (4-methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone?
(4-methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone has a molecular weight of 213.28 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypyrrolidin-2-yl)-(oxan-3-yl)methanone is sourced from PubChem (CID 107138329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).