oxolan-3-yl(pyrrolidin-3-yl)methanone

C9H15NO2 — CID 116568253

IUPACoxolan-3-yl(pyrrolidin-3-yl)methanone
SMILESO=C(C1CCNC1)C1CCOC1
InChIInChI=1S/C9H15NO2/c11-9(7-1-3-10-5-7)8-2-4-12-6-8/h7-8,10H,1-6H2
InChIKeyBEKFVIWHXDUCHF-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.20
Rot. Bonds2

About oxolan-3-yl(pyrrolidin-3-yl)methanone

oxolan-3-yl(pyrrolidin-3-yl)methanone (PubChem CID 116568253) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is oxolan-3-yl(pyrrolidin-3-yl)methanone.

Molecular Properties

Compound Nameoxolan-3-yl(pyrrolidin-3-yl)methanone
PubChem CID116568253
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameoxolan-3-yl(pyrrolidin-3-yl)methanone
SMILESO=C(C1CCNC1)C1CCOC1
InChIInChI=1S/C9H15NO2/c11-9(7-1-3-10-5-7)8-2-4-12-6-8/h7-8,10H,1-6H2
InChIKeyBEKFVIWHXDUCHF-UHFFFAOYSA-N
XLogP0.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-oxan-3-yl]-[(3R)-piperidin-3-yl]methanone
CID 124675211
cycloheptyl(oxolan-3-yl)methanone
CID 65399453
(4-aminocyclohexyl)-(oxolan-3-yl)methanone
CID 116557261
di(piperidin-3-yl)methanone
CID 69183047
N-methyl-N-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119814558
(3S)-3-[(3R)-oxolan-3-yl]pyrrolidine
CID 94398019
cyclobutyl-[(3R)-piperidin-3-yl]methanone
CID 124604189
N-[(3S)-pyrrolidin-3-yl]oxane-4-carboxamide
CID 79688091
N-methyl-1,4-oxazepane-6-carboxamide
CID 66510045
2-(azetidin-3-yl)-1-(oxolan-3-yl)ethanone
CID 116582222
oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105099768
N-propyl-N-pyrrolidin-3-yloxolane-3-carboxamide;hydrochloride
CID 119260577

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl(pyrrolidin-3-yl)methanone?
The IUPAC name of oxolan-3-yl(pyrrolidin-3-yl)methanone (CID 116568253) is oxolan-3-yl(pyrrolidin-3-yl)methanone.
What is the SMILES notation for oxolan-3-yl(pyrrolidin-3-yl)methanone?
The canonical SMILES for oxolan-3-yl(pyrrolidin-3-yl)methanone is O=C(C1CCNC1)C1CCOC1.
What is the InChIKey of oxolan-3-yl(pyrrolidin-3-yl)methanone?
The InChIKey is BEKFVIWHXDUCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(7-1-3-10-5-7)8-2-4-12-6-8/h7-8,10H,1-6H2.
What are the key properties of oxolan-3-yl(pyrrolidin-3-yl)methanone?
oxolan-3-yl(pyrrolidin-3-yl)methanone has a molecular weight of 169.22 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl(pyrrolidin-3-yl)methanone is sourced from PubChem (CID 116568253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).