3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone

C13H21NO2 — CID 169182669

IUPAC3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2C3COCC32)C1
InChIInChI=1S/C13H21NO2/c1-8(2)9-3-4-14(5-9)13(15)12-10-6-16-7-11(10)12/h8-12H,3-7H2,1-2H3
InChIKeySLLDGFSLMOUTNZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.38
Rot. Bonds2

About 3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone

3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 169182669) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID169182669
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2C3COCC32)C1
InChIInChI=1S/C13H21NO2/c1-8(2)9-3-4-14(5-9)13(15)12-10-6-16-7-11(10)12/h8-12H,3-7H2,1-2H3
InChIKeySLLDGFSLMOUTNZ-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of 3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone (CID 169182669) is 3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for 3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2C3COCC32)C1.
What is the InChIKey of 3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is SLLDGFSLMOUTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8(2)9-3-4-14(5-9)13(15)12-10-6-16-7-11(10)12/h8-12H,3-7H2,1-2H3.
What are the key properties of 3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone?
3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 223.32 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 169182669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).