(2-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone

C11H19NO2 — CID 107138437

IUPAC(2-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone
SMILESCC1NCCC1C(=O)C1CCCOC1
InChIInChI=1S/C11H19NO2/c1-8-10(4-5-12-8)11(13)9-3-2-6-14-7-9/h8-10,12H,2-7H2,1H3
InChIKeyFOCWQDVIKLMRNE-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.98
Rot. Bonds2

About (2-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone

(2-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone (PubChem CID 107138437) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone
PubChem CID107138437
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone
SMILESCC1NCCC1C(=O)C1CCCOC1
InChIInChI=1S/C11H19NO2/c1-8-10(4-5-12-8)11(13)9-3-2-6-14-7-9/h8-10,12H,2-7H2,1H3
InChIKeyFOCWQDVIKLMRNE-UHFFFAOYSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone?
The IUPAC name of (2-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone (CID 107138437) is (2-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone.
What is the SMILES notation for (2-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone?
The canonical SMILES for (2-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone is CC1NCCC1C(=O)C1CCCOC1.
What is the InChIKey of (2-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone?
The InChIKey is FOCWQDVIKLMRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-10(4-5-12-8)11(13)9-3-2-6-14-7-9/h8-10,12H,2-7H2,1H3.
What are the key properties of (2-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone?
(2-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone has a molecular weight of 197.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone is sourced from PubChem (CID 107138437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).