2,6-dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone

C16H27NO3 — CID 106982198

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)C2CCOC3(CCOC3)C2)CCNC1
InChIInChI=1S/C16H27NO3/c1-12(2)16(4-6-17-10-16)14(18)13-3-7-20-15(9-13)5-8-19-11-15/h12-13,17H,3-11H2,1-2H3
InChIKeyVYPLIWVEFGQCOC-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.78
Rot. Bonds3

About 2,6-dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone

2,6-dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106982198) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106982198
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)C2CCOC3(CCOC3)C2)CCNC1
InChIInChI=1S/C16H27NO3/c1-12(2)16(4-6-17-10-16)14(18)13-3-7-20-15(9-13)5-8-19-11-15/h12-13,17H,3-11H2,1-2H3
InChIKeyVYPLIWVEFGQCOC-UHFFFAOYSA-N
XLogP1.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106982198) is 2,6-dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone is CC(C)C1(C(=O)C2CCOC3(CCOC3)C2)CCNC1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is VYPLIWVEFGQCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12(2)16(4-6-17-10-16)14(18)13-3-7-20-15(9-13)5-8-19-11-15/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
2,6-dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 281.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106982198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).