oxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone

C13H23NO2 — CID 106982110

IUPACoxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)C2CCOCC2)CCNC1
InChIInChI=1S/C13H23NO2/c1-10(2)13(5-6-14-9-13)12(15)11-3-7-16-8-4-11/h10-11,14H,3-9H2,1-2H3
InChIKeyIWLLGQORVNBXGN-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.62
Rot. Bonds3

About oxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone

oxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106982110) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is oxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106982110
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameoxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)C2CCOCC2)CCNC1
InChIInChI=1S/C13H23NO2/c1-10(2)13(5-6-14-9-13)12(15)11-3-7-16-8-4-11/h10-11,14H,3-9H2,1-2H3
InChIKeyIWLLGQORVNBXGN-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of oxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106982110) is oxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for oxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for oxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone is CC(C)C1(C(=O)C2CCOCC2)CCNC1.
What is the InChIKey of oxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is IWLLGQORVNBXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)13(5-6-14-9-13)12(15)11-3-7-16-8-4-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of oxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
oxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 225.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106982110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).