(7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

C9H14FNO2 — CID 175955156

IUPAC(7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1OC(C)(C)N2C(=O)C(F)C[C@@H]12
InChIInChI=1S/C9H14FNO2/c1-5-7-4-6(10)8(12)11(7)9(2,3)13-5/h5-7H,4H2,1-3H3/t5?,6?,7-/m0/s1
InChIKeyGLAOQABQYZFEMI-AHXFUIDQSA-N
MW187.21 g/mol
LogP1.08
Rot. Bonds

About (7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

(7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 175955156) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is (7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID175955156
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name(7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1OC(C)(C)N2C(=O)C(F)C[C@@H]12
InChIInChI=1S/C9H14FNO2/c1-5-7-4-6(10)8(12)11(7)9(2,3)13-5/h5-7H,4H2,1-3H3/t5?,6?,7-/m0/s1
InChIKeyGLAOQABQYZFEMI-AHXFUIDQSA-N
XLogP1.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 175955156) is (7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is CC1OC(C)(C)N2C(=O)C(F)C[C@@H]12.
What is the InChIKey of (7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is GLAOQABQYZFEMI-AHXFUIDQSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-5-7-4-6(10)8(12)11(7)9(2,3)13-5/h5-7H,4H2,1-3H3/t5?,6?,7-/m0/s1.
What are the key properties of (7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
(7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 187.21 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-6-fluoro-1,3,3-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 175955156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).