1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one

C17H29NO2 — CID 102898107

IUPAC1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H29NO2/c1-14(19)12-15-6-5-11-18(15)13-16-7-10-17(20-16)8-3-2-4-9-17/h15-16H,2-13H2,1H3
InChIKeyPZUHEZITDIKMAV-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.31
Rot. Bonds4

About 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one

1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 102898107) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
PubChem CID102898107
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H29NO2/c1-14(19)12-15-6-5-11-18(15)13-16-7-10-17(20-16)8-3-2-4-9-17/h15-16H,2-13H2,1H3
InChIKeyPZUHEZITDIKMAV-UHFFFAOYSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone
CID 170366511
2-[1-(Oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79547022
2-[1-[3-(Oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549060
Methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 102848093
1-[1-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone
CID 102898098
1-[1-(1-Oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone
CID 102898101
1-[1-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone
CID 102898102
4-[Methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]cyclohexan-1-one
CID 102898104
2-[1-(1-Oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 102898105
1-[1-(1-Oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 102898106
1-[1-(1-Oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 102898108
1-[1-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 102898109

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one (CID 102898107) is 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1CC1CCC2(CCCCC2)O1.
What is the InChIKey of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is PZUHEZITDIKMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(19)12-15-6-5-11-18(15)13-16-7-10-17(20-16)8-3-2-4-9-17/h15-16H,2-13H2,1H3.
What are the key properties of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 279.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 102898107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).