(10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one

C15H25FN2O — CID 178108357

IUPAC(10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
SMILESCN(C1CC(F)C1)C1CCCC(=O)N2CCC[C@@H]2C1
InChIInChI=1S/C15H25FN2O/c1-17(14-8-11(16)9-14)12-4-2-6-15(19)18-7-3-5-13(18)10-12/h11-14H,2-10H2,1H3/t11?,12?,13-,14?/m1/s1
InChIKeyLFUIYBXSVKYRPW-WCFLAILDSA-N
MW268.38 g/mol
LogP2.35
Rot. Bonds2

About (10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one

(10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one (PubChem CID 178108357) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is (10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one.

Molecular Properties

Compound Name(10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
PubChem CID178108357
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name(10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
SMILESCN(C1CC(F)C1)C1CCCC(=O)N2CCC[C@@H]2C1
InChIInChI=1S/C15H25FN2O/c1-17(14-8-11(16)9-14)12-4-2-6-15(19)18-7-3-5-13(18)10-12/h11-14H,2-10H2,1H3/t11?,12?,13-,14?/m1/s1
InChIKeyLFUIYBXSVKYRPW-WCFLAILDSA-N
XLogP2.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one with MolForge

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Related Compounds

CID 178108392
CID 178108392
CID 178108396
CID 178108396
CID 178108409
CID 178108409
CID 178108517
CID 178108517
CID 178108585
CID 178108585
CID 178108646
CID 178108646
CID 168982399
CID 168982399
CID 178108345
CID 178108345
CID 178108411
CID 178108411
CID 178108515
CID 178108515

Frequently Asked Questions

What is the IUPAC name of (10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one?
The IUPAC name of (10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one (CID 178108357) is (10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one.
What is the SMILES notation for (10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one?
The canonical SMILES for (10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one is CN(C1CC(F)C1)C1CCCC(=O)N2CCC[C@@H]2C1.
What is the InChIKey of (10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one?
The InChIKey is LFUIYBXSVKYRPW-WCFLAILDSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-17(14-8-11(16)9-14)12-4-2-6-15(19)18-7-3-5-13(18)10-12/h11-14H,2-10H2,1H3/t11?,12?,13-,14?/m1/s1.
What are the key properties of (10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one?
(10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one has a molecular weight of 268.38 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10aR)-9-[(3-fluorocyclobutyl)-methylamino]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one is sourced from PubChem (CID 178108357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).