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

C10H17NO — CID 86313694

IUPAC(10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
SMILESO=C1CCCCC[C@H]2CCCN12
InChIInChI=1S/C10H17NO/c12-10-7-3-1-2-5-9-6-4-8-11(9)10/h9H,1-8H2/t9-/m0/s1
InChIKeyWAVKJQJIRKLOIG-VIFPVBQESA-N
MW167.25 g/mol
LogP1.94
Rot. Bonds

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

(10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one (PubChem CID 86313694) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one.

Molecular Properties

Compound Name(10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
PubChem CID86313694
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
SMILESO=C1CCCCC[C@H]2CCCN12
InChIInChI=1S/C10H17NO/c12-10-7-3-1-2-5-9-6-4-8-11(9)10/h9H,1-8H2/t9-/m0/s1
InChIKeyWAVKJQJIRKLOIG-VIFPVBQESA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (10aS)-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

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CID 11063030
1-cyclodecylpyrrolidin-2-one
CID 138507623
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CID 172723863
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
4-cyclopentyl-1,4-diazocan-5-one
CID 117015321
1-cyclohexylpyrrolidin-2-one;1,3-oxazolidin-2-one
CID 174656528
4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide
CID 146082370
1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one
CID 130233518
1-(4-acetylcyclohexyl)piperidin-2-one
CID 58664390
2-cyclohexyl-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79931975
1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one
CID 166007971

Frequently Asked Questions

What is the IUPAC name of (10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one?
The IUPAC name of (10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one (CID 86313694) is (10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one.
What is the SMILES notation for (10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one?
The canonical SMILES for (10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one is O=C1CCCCC[C@H]2CCCN12.
What is the InChIKey of (10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one?
The InChIKey is WAVKJQJIRKLOIG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO/c12-10-7-3-1-2-5-9-6-4-8-11(9)10/h9H,1-8H2/t9-/m0/s1.
What are the key properties of (10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one?
(10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one has a molecular weight of 167.25 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one is sourced from PubChem (CID 86313694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).