[(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone

C17H23N3O3 — CID 97366084

IUPAC[(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21
InChIInChI=1S/C17H23N3O3/c21-17(19-9-3-4-10-19)20-11-12-22-16-13(20)6-7-14(16)23-15-5-1-2-8-18-15/h1-2,5,8,13-14,16H,3-4,6-7,9-12H2/t13-,14-,16+/m0/s1
InChIKeyQKNJKJUIQGYAJR-OFQRWUPVSA-N
MW317.39 g/mol
LogP1.91
Rot. Bonds2

About [(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone

[(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97366084) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is [(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID97366084
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name[(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21
InChIInChI=1S/C17H23N3O3/c21-17(19-9-3-4-10-19)20-11-12-22-16-13(20)6-7-14(16)23-15-5-1-2-8-18-15/h1-2,5,8,13-14,16H,3-4,6-7,9-12H2/t13-,14-,16+/m0/s1
InChIKeyQKNJKJUIQGYAJR-OFQRWUPVSA-N
XLogP1.91
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone (CID 97366084) is [(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21.
What is the InChIKey of [(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QKNJKJUIQGYAJR-OFQRWUPVSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-17(19-9-3-4-10-19)20-11-12-22-16-13(20)6-7-14(16)23-15-5-1-2-8-18-15/h1-2,5,8,13-14,16H,3-4,6-7,9-12H2/t13-,14-,16+/m0/s1.
What are the key properties of [(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone?
[(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 317.39 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,7S,7aR)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97366084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).