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

C15H19FN2O2 — CID 75529073

IUPAC(6S)-14-fluoro-9-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
SMILESCC(C)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1
InChIInChI=1S/C15H19FN2O2/c1-10(2)17-6-5-13-9-20-15(19)18(13)14-7-12(16)4-3-11(14)8-17/h3-4,7,10,13H,5-6,8-9H2,1-2H3/t13-/m0/s1
InChIKeyUBQNUYCYKMRRNF-ZDUSSCGKSA-N
MW278.33 g/mol
LogP2.77
Rot. Bonds1

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

(6S)-14-fluoro-9-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one (PubChem CID 75529073) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (6S)-14-fluoro-9-propan-2-yl-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-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
PubChem CID75529073
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(6S)-14-fluoro-9-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
SMILESCC(C)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1
InChIInChI=1S/C15H19FN2O2/c1-10(2)17-6-5-13-9-20-15(19)18(13)14-7-12(16)4-3-11(14)8-17/h3-4,7,10,13H,5-6,8-9H2,1-2H3/t13-/m0/s1
InChIKeyUBQNUYCYKMRRNF-ZDUSSCGKSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

Analyze (6S)-14-fluoro-9-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one with MolForge

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Launch Full Analysis

Related Compounds

(1-Methylpyrrolidin-2-yl)methyl hydrogen (2-methylphenyl)carbonimidate
CID 3032669
(6S)-14-fluoro-9-[[4-(trifluoromethyl)phenyl]methyl]-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 75529109
(6S)-14-fluoro-N-(4-fluorophenyl)-3-oxo-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-triene-9-carboxamide
CID 75529079
(6S)-9-[(2-chlorophenyl)methyl]-14-fluoro-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 75529096
3-[4-(Trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 11837255
Ethyl 2-methyl-1-indolinecarboxylate
CID 2970426
2-Oxazolidinone, 5-((dimethylamino)methyl)-3-(p-fluorophenyl)-, monohydrochloride
CID 213838
ethyl 2-cyano-6-fluoro-2H-quinoline-1-carboxylate
CID 466892
5-Hexyl-3-o-tolyloxazolidin-2-one
CID 46887159
3-[3-[2-[3-(Dimethylamino)phenyl]pyrrolidin-1-yl]propyl]-1,3-oxazolidin-2-one
CID 71988894
(4S)-4-Isopropyl-3-{2-[4-(2-methylphenyl)-1,4-diazepan-1-YL]-2-oxoethyl}-1,3-oxazolidin-2-one
CID 72851442
(6S)-9-benzyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one
CID 75529019

Frequently Asked Questions

What is the IUPAC name of (6S)-14-fluoro-9-propan-2-yl-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-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one (CID 75529073) is (6S)-14-fluoro-9-propan-2-yl-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-propan-2-yl-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-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one is CC(C)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1.
What is the InChIKey of (6S)-14-fluoro-9-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?
The InChIKey is UBQNUYCYKMRRNF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-10(2)17-6-5-13-9-20-15(19)18(13)14-7-12(16)4-3-11(14)8-17/h3-4,7,10,13H,5-6,8-9H2,1-2H3/t13-/m0/s1.
What are the key properties of (6S)-14-fluoro-9-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?
(6S)-14-fluoro-9-propan-2-yl-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, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-14-fluoro-9-propan-2-yl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one is sourced from PubChem (CID 75529073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).