1-[(2R)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one

C13H23NO2 — CID 90247372

IUPAC1-[(2R)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one
SMILESCC(C(=O)N1CCC[C@H]1C)C1CCOCC1
InChIInChI=1S/C13H23NO2/c1-10-4-3-7-14(10)13(15)11(2)12-5-8-16-9-6-12/h10-12H,3-9H2,1-2H3/t10-,11?/m1/s1
InChIKeyCQIJNIJVYSTYJG-NFJWQWPMSA-N
MW225.33 g/mol
LogP2.06
Rot. Bonds2

About 1-[(2R)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one

1-[(2R)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one (PubChem CID 90247372) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[(2R)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one
PubChem CID90247372
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[(2R)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one
SMILESCC(C(=O)N1CCC[C@H]1C)C1CCOCC1
InChIInChI=1S/C13H23NO2/c1-10-4-3-7-14(10)13(15)11(2)12-5-8-16-9-6-12/h10-12H,3-9H2,1-2H3/t10-,11?/m1/s1
InChIKeyCQIJNIJVYSTYJG-NFJWQWPMSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one?
The IUPAC name of 1-[(2R)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one (CID 90247372) is 1-[(2R)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one is CC(C(=O)N1CCC[C@H]1C)C1CCOCC1.
What is the InChIKey of 1-[(2R)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one?
The InChIKey is CQIJNIJVYSTYJG-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-4-3-7-14(10)13(15)11(2)12-5-8-16-9-6-12/h10-12H,3-9H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of 1-[(2R)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one?
1-[(2R)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one is sourced from PubChem (CID 90247372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).