4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

C11H17FN2O2 — CID 90023546

IUPAC4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESO=C1N(C2CC2)CCOC12CCNCC2F
InChIInChI=1S/C11H17FN2O2/c12-9-7-13-4-3-11(9)10(15)14(5-6-16-11)8-1-2-8/h8-9,13H,1-7H2
InChIKeyRRZCUNYBCXYHNP-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.08
Rot. Bonds1

About 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (PubChem CID 90023546) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
PubChem CID90023546
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESO=C1N(C2CC2)CCOC12CCNCC2F
InChIInChI=1S/C11H17FN2O2/c12-9-7-13-4-3-11(9)10(15)14(5-6-16-11)8-1-2-8/h8-9,13H,1-7H2
InChIKeyRRZCUNYBCXYHNP-UHFFFAOYSA-N
XLogP0.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97372310
Cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 97449215
Cyclopropyl(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride
CID 118742018
(2,6-Dimethylmorpholin-4-yl)-(4-methoxypiperidin-4-yl)methanone
CID 119669794
4-(Trifluoromethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66783899
4-Cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 90014659
(6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 90014661
(11S)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 90015108
4-Cyclopropyl-11,11-difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 90021666
(2R,6R,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 139510226
(2R,6S,11R)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 139518592
(2R,6S,11S)-11-fluoro-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 139518605

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (CID 90023546) is 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is O=C1N(C2CC2)CCOC12CCNCC2F.
What is the InChIKey of 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The InChIKey is RRZCUNYBCXYHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c12-9-7-13-4-3-11(9)10(15)14(5-6-16-11)8-1-2-8/h8-9,13H,1-7H2.
What are the key properties of 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one has a molecular weight of 228.27 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 90023546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).