1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one

C16H27NO2 — CID 102898106

IUPAC1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H27NO2/c1-13(18)11-14-5-4-10-17(14)12-15-6-9-16(19-15)7-2-3-8-16/h14-15H,2-12H2,1H3
InChIKeyFKPOOAXKVAKXNA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.92
Rot. Bonds4

About 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one

1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 102898106) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
PubChem CID102898106
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H27NO2/c1-13(18)11-14-5-4-10-17(14)12-15-6-9-16(19-15)7-2-3-8-16/h14-15H,2-12H2,1H3
InChIKeyFKPOOAXKVAKXNA-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone
CID 170366512
tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate
CID 178086712
2-Cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane
CID 178087243
2-[1-(Oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79544099
2-[1-[3-(Oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79544258
1-[1-(1-Oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone
CID 102898101
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[4.5]decan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 102898107
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
1-[1-(1-Oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-yl]propan-2-one
CID 102898110

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one (CID 102898106) is 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1CC1CCC2(CCCC2)O1.
What is the InChIKey of 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is FKPOOAXKVAKXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(18)11-14-5-4-10-17(14)12-15-6-9-16(19-15)7-2-3-8-16/h14-15H,2-12H2,1H3.
What are the key properties of 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 265.40 g/mol, XLogP of 2.92, 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[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 102898106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).