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

C17H29NO2 — CID 106982269

IUPAC6-oxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)C2CCOC3(CCCC3)C2)CCNC1
InChIInChI=1S/C17H29NO2/c1-13(2)17(8-9-18-12-17)15(19)14-5-10-20-16(11-14)6-3-4-7-16/h13-14,18H,3-12H2,1-2H3
InChIKeyXRVXTQURCVKKEC-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.93
Rot. Bonds3

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

6-oxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106982269) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 6-oxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name6-oxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106982269
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name6-oxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)C2CCOC3(CCCC3)C2)CCNC1
InChIInChI=1S/C17H29NO2/c1-13(2)17(8-9-18-12-17)15(19)14-5-10-20-16(11-14)6-3-4-7-16/h13-14,18H,3-12H2,1-2H3
InChIKeyXRVXTQURCVKKEC-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of 6-oxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106982269) is 6-oxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for 6-oxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for 6-oxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone is CC(C)C1(C(=O)C2CCOC3(CCCC3)C2)CCNC1.
What is the InChIKey of 6-oxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is XRVXTQURCVKKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(2)17(8-9-18-12-17)15(19)14-5-10-20-16(11-14)6-3-4-7-16/h13-14,18H,3-12H2,1-2H3.
What are the key properties of 6-oxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone?
6-oxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 279.42 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[4.5]decan-9-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106982269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).