(6S)-14-fluoro-9-propyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one

C15H19FN2O2 — CID 75529108

IUPAC(6S)-14-fluoro-9-propyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
SMILESCCCN1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1
InChIInChI=1S/C15H19FN2O2/c1-2-6-17-7-5-13-10-20-15(19)18(13)14-8-12(16)4-3-11(14)9-17/h3-4,8,13H,2,5-7,9-10H2,1H3/t13-/m0/s1
InChIKeySHEGFGCSPGOEOY-ZDUSSCGKSA-N
MW278.33 g/mol
LogP2.77
Rot. Bonds2

About (6S)-14-fluoro-9-propyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one

(6S)-14-fluoro-9-propyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one (PubChem CID 75529108) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (6S)-14-fluoro-9-propyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one.

Molecular Properties

Compound Name(6S)-14-fluoro-9-propyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
PubChem CID75529108
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(6S)-14-fluoro-9-propyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
SMILESCCCN1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1
InChIInChI=1S/C15H19FN2O2/c1-2-6-17-7-5-13-10-20-15(19)18(13)14-8-12(16)4-3-11(14)9-17/h3-4,8,13H,2,5-7,9-10H2,1H3/t13-/m0/s1
InChIKeySHEGFGCSPGOEOY-ZDUSSCGKSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-14-fluoro-9-propyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?
The IUPAC name of (6S)-14-fluoro-9-propyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one (CID 75529108) is (6S)-14-fluoro-9-propyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one.
What is the SMILES notation for (6S)-14-fluoro-9-propyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?
The canonical SMILES for (6S)-14-fluoro-9-propyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one is CCCN1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1.
What is the InChIKey of (6S)-14-fluoro-9-propyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?
The InChIKey is SHEGFGCSPGOEOY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-2-6-17-7-5-13-10-20-15(19)18(13)14-8-12(16)4-3-11(14)9-17/h3-4,8,13H,2,5-7,9-10H2,1H3/t13-/m0/s1.
What are the key properties of (6S)-14-fluoro-9-propyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?
(6S)-14-fluoro-9-propyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one has a molecular weight of 278.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-14-fluoro-9-propyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one is sourced from PubChem (CID 75529108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).