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

C11H17FN2O2 — CID 90015108

IUPAC(11S)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCNC[C@@H]2F)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/t9-,11?/m0/s1
InChIKeyDKBVUHDTIFPGKS-FTNKSUMCSA-N
MW228.27 g/mol
LogP0.08
Rot. Bonds1

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

(11S)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 90015108) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is (11S)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(11S)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID90015108
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name(11S)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCNC[C@@H]2F)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/t9-,11?/m0/s1
InChIKeyDKBVUHDTIFPGKS-FTNKSUMCSA-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

Analyze (11S)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (11S)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (11S)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 90015108) is (11S)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (11S)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (11S)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCNC[C@@H]2F)CN1C1CC1.
What is the InChIKey of (11S)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DKBVUHDTIFPGKS-FTNKSUMCSA-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/t9-,11?/m0/s1.
What are the key properties of (11S)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(11S)-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 (11S)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 90015108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).