1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one

C16H23FN2O3 — CID 131693247

IUPAC1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCC2(CN(C(=O)C3(F)CC3)C2)OC1
InChIInChI=1S/C16H23FN2O3/c17-16(5-6-16)14(21)19-10-15(11-19)4-3-12(9-22-15)8-18-7-1-2-13(18)20/h12H,1-11H2
InChIKeyWHBPKZLWBMYQAI-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.12
Rot. Bonds3

About 1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one

1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one (PubChem CID 131693247) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
PubChem CID131693247
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCC2(CN(C(=O)C3(F)CC3)C2)OC1
InChIInChI=1S/C16H23FN2O3/c17-16(5-6-16)14(21)19-10-15(11-19)4-3-12(9-22-15)8-18-7-1-2-13(18)20/h12H,1-11H2
InChIKeyWHBPKZLWBMYQAI-UHFFFAOYSA-N
XLogP1.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(3-methylbutanoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
CID 131693400
1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131692664
1-[[2-(1,3-dihydro-2-benzofuran-5-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131693079
1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
CID 131693487
1-[[2-(3-methyl-5-propyl-1,2-oxazole-4-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131692904
1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
CID 124806557
3-methyl-1-[7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one
CID 131693794
ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one
CID 162255523
2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131686040
2-(2-methylphenyl)-1-[7-(morpholin-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155826351
1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111538893
(4-chlorophenyl)-[(7S)-7-(morpholin-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124800891

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one (CID 131693247) is 1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CCC2(CN(C(=O)C3(F)CC3)C2)OC1.
What is the InChIKey of 1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one?
The InChIKey is WHBPKZLWBMYQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c17-16(5-6-16)14(21)19-10-15(11-19)4-3-12(9-22-15)8-18-7-1-2-13(18)20/h12H,1-11H2.
What are the key properties of 1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one?
1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one has a molecular weight of 310.37 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-fluorocyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 131693247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).