2-(pyrrolidin-3-ylmethyl)oxazinan-3-one

C9H16N2O2 — CID 105441244

IUPAC2-(pyrrolidin-3-ylmethyl)oxazinan-3-one
SMILESO=C1CCCON1CC1CCNC1
InChIInChI=1S/C9H16N2O2/c12-9-2-1-5-13-11(9)7-8-3-4-10-6-8/h8,10H,1-7H2
InChIKeyDBRKFIJFCLHZFO-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.15
Rot. Bonds2

About 2-(pyrrolidin-3-ylmethyl)oxazinan-3-one

2-(pyrrolidin-3-ylmethyl)oxazinan-3-one (PubChem CID 105441244) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylmethyl)oxazinan-3-one.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylmethyl)oxazinan-3-one
PubChem CID105441244
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-(pyrrolidin-3-ylmethyl)oxazinan-3-one
SMILESO=C1CCCON1CC1CCNC1
InChIInChI=1S/C9H16N2O2/c12-9-2-1-5-13-11(9)7-8-3-4-10-6-8/h8,10H,1-7H2
InChIKeyDBRKFIJFCLHZFO-UHFFFAOYSA-N
XLogP0.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidin-3-ylmethyl)-1,2-oxazolidin-3-one
CID 105434511
2-(2-pyrrolidin-3-ylethyl)-1,2-oxazolidin-3-one
CID 105441242
2-piperidin-4-yloxazinan-3-one
CID 105441246
5-(piperidin-3-ylmethyl)-4-oxa-5-azaspiro[2.4]heptan-6-one
CID 105464224
2-piperidin-3-yloxazinan-3-one
CID 105441247
2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 80564107
1-pyrrolidin-3-ylpiperidin-2-one
CID 62329305
2-(pyrrolidin-3-ylmethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 80564005
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
5-methyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one
CID 63205847
1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione
CID 79942296

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylmethyl)oxazinan-3-one?
The IUPAC name of 2-(pyrrolidin-3-ylmethyl)oxazinan-3-one (CID 105441244) is 2-(pyrrolidin-3-ylmethyl)oxazinan-3-one.
What is the SMILES notation for 2-(pyrrolidin-3-ylmethyl)oxazinan-3-one?
The canonical SMILES for 2-(pyrrolidin-3-ylmethyl)oxazinan-3-one is O=C1CCCON1CC1CCNC1.
What is the InChIKey of 2-(pyrrolidin-3-ylmethyl)oxazinan-3-one?
The InChIKey is DBRKFIJFCLHZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9-2-1-5-13-11(9)7-8-3-4-10-6-8/h8,10H,1-7H2.
What are the key properties of 2-(pyrrolidin-3-ylmethyl)oxazinan-3-one?
2-(pyrrolidin-3-ylmethyl)oxazinan-3-one has a molecular weight of 184.24 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylmethyl)oxazinan-3-one is sourced from PubChem (CID 105441244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).