(6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C11H17FN2O2 — CID 90014661

IUPAC(6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CO[C@@]2(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+/m1/s1
InChIKeyDKBVUHDTIFPGKS-KOLCDFICSA-N
MW228.27 g/mol
LogP0.08
Rot. Bonds1

About (6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 90014661) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is (6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID90014661
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name(6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CO[C@@]2(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+/m1/s1
InChIKeyDKBVUHDTIFPGKS-KOLCDFICSA-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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Frequently Asked Questions

What is the IUPAC name of (6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 90014661) is (6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1CO[C@@]2(CCNC[C@H]2F)CN1C1CC1.
What is the InChIKey of (6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DKBVUHDTIFPGKS-KOLCDFICSA-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+/m1/s1.
What are the key properties of (6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(6S,11R)-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 (6S,11R)-4-cyclopropyl-11-fluoro-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 90014661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).