5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone

C16H27NO2 — CID 106982060

IUPAC5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)C2CCOC3(CCC3)C2)CCNC1
InChIInChI=1S/C16H27NO2/c1-12(2)16(7-8-17-11-16)14(18)13-4-9-19-15(10-13)5-3-6-15/h12-13,17H,3-11H2,1-2H3
InChIKeyHMOJOZDAXAFFCC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.54
Rot. Bonds3

About 5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone

5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106982060) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106982060
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)C2CCOC3(CCC3)C2)CCNC1
InChIInChI=1S/C16H27NO2/c1-12(2)16(7-8-17-11-16)14(18)13-4-9-19-15(10-13)5-3-6-15/h12-13,17H,3-11H2,1-2H3
InChIKeyHMOJOZDAXAFFCC-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of 5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106982060) is 5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for 5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for 5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone is CC(C)C1(C(=O)C2CCOC3(CCC3)C2)CCNC1.
What is the InChIKey of 5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is HMOJOZDAXAFFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)16(7-8-17-11-16)14(18)13-4-9-19-15(10-13)5-3-6-15/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 265.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.5]nonan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106982060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).