[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone

C11H17FN2O2 — CID 131687432

IUPAC[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone
SMILESCN1CCO[C@H]2CN(C(=O)C3(F)CC3)C[C@H]21
InChIInChI=1S/C11H17FN2O2/c1-13-4-5-16-9-7-14(6-8(9)13)10(15)11(12)2-3-11/h8-9H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyGRAVQJJKAFPGMP-BDAKNGLRSA-N
MW228.27 g/mol
LogP0.03
Rot. Bonds1

About [(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone

[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone (PubChem CID 131687432) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is [(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone.

Molecular Properties

Compound Name[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone
PubChem CID131687432
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone
SMILESCN1CCO[C@H]2CN(C(=O)C3(F)CC3)C[C@H]21
InChIInChI=1S/C11H17FN2O2/c1-13-4-5-16-9-7-14(6-8(9)13)10(15)11(12)2-3-11/h8-9H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyGRAVQJJKAFPGMP-BDAKNGLRSA-N
XLogP0.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone?
The IUPAC name of [(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone (CID 131687432) is [(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone.
What is the SMILES notation for [(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone?
The canonical SMILES for [(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone is CN1CCO[C@H]2CN(C(=O)C3(F)CC3)C[C@H]21.
What is the InChIKey of [(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone?
The InChIKey is GRAVQJJKAFPGMP-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-13-4-5-16-9-7-14(6-8(9)13)10(15)11(12)2-3-11/h8-9H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of [(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone?
[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone has a molecular weight of 228.27 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-fluorocyclopropyl)methanone is sourced from PubChem (CID 131687432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).