spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one

C10H16N2O2 — CID 118677000

IUPACspiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one
SMILESO=C1NCCC12CC1COCC(C2)N1
InChIInChI=1S/C10H16N2O2/c13-9-10(1-2-11-9)3-7-5-14-6-8(4-10)12-7/h7-8,12H,1-6H2,(H,11,13)
InChIKeyHGWCMDIPITZJCQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.36
Rot. Bonds

About spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one

spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one (PubChem CID 118677000) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Namespiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one
PubChem CID118677000
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namespiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one
SMILESO=C1NCCC12CC1COCC(C2)N1
InChIInChI=1S/C10H16N2O2/c13-9-10(1-2-11-9)3-7-5-14-6-8(4-10)12-7/h7-8,12H,1-6H2,(H,11,13)
InChIKeyHGWCMDIPITZJCQ-UHFFFAOYSA-N
XLogP-0.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-azaspiro[4.4]nonane-1,8-dione
CID 53493142
(1'S,5'R)-spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one
CID 129499691
(1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
CID 98053721
9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one
CID 58230108
8,8-dimethyl-2-azaspiro[4.5]decan-1-one
CID 148701523
8-(hydroxymethyl)-2-azaspiro[4.5]decan-1-one
CID 176544872
4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one
CID 142768617
2,10-diazaspiro[4.6]undecan-1-one
CID 105433866
8-sulfanyl-2,8-diazaspiro[4.5]decan-1-one
CID 158981180
2,9-diazaspiro[4.5]decan-1-one
CID 23135196
tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate
CID 67108890
9-oxa-2,6-diazaspiro[4.5]decan-1-one
CID 165458993

Frequently Asked Questions

What is the IUPAC name of spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one?
The IUPAC name of spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one (CID 118677000) is spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one.
What is the SMILES notation for spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one?
The canonical SMILES for spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one is O=C1NCCC12CC1COCC(C2)N1.
What is the InChIKey of spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one?
The InChIKey is HGWCMDIPITZJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-9-10(1-2-11-9)3-7-5-14-6-8(4-10)12-7/h7-8,12H,1-6H2,(H,11,13).
What are the key properties of spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one?
spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one has a molecular weight of 196.25 g/mol, XLogP of -0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3-oxa-9-azabicyclo[3.3.1]nonane-7,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 118677000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).