4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C11H17FN2O2 — CID 90014659

IUPAC4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCNCC2F)CN1C1CC1
InChIInChI=1S/C11H17FN2O2/c12-9-5-13-4-3-11(9)7-14(8-1-2-8)10(15)6-16-11/h8-9,13H,1-7H2
InChIKeyDKBVUHDTIFPGKS-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.08
Rot. Bonds1

About 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 90014659) 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-3-one.

Molecular Properties

Compound Name4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID90014659
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCNCC2F)CN1C1CC1
InChIInChI=1S/C11H17FN2O2/c12-9-5-13-4-3-11(9)7-14(8-1-2-8)10(15)6-16-11/h8-9,13H,1-7H2
InChIKeyDKBVUHDTIFPGKS-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

US10927128, Example 59
CID 135332721
US10927128, Example 56
CID 135332756
US11649248, Example 59
CID 156290271
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
2,2,2-Trifluoro-1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone
CID 57989026
4-(Trifluoromethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66783899
(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
4-Cyclopropyl-11-fluoro-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 90021673
4-Cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 90023546

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 90014659) is 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCNCC2F)CN1C1CC1.
What is the InChIKey of 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DKBVUHDTIFPGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c12-9-5-13-4-3-11(9)7-14(8-1-2-8)10(15)6-16-11/h8-9,13H,1-7H2.
What are the key properties of 4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-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-3-one is sourced from PubChem (CID 90014659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).