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

C10H15NO — CID 134862784

IUPAC(8Z,10aS)-2,5,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one
SMILESO=C1CC[C@H]2C/C=C\CCCN12
InChIInChI=1S/C10H15NO/c12-10-7-6-9-5-3-1-2-4-8-11(9)10/h1,3,9H,2,4-8H2/b3-1-/t9-/m1/s1
InChIKeyCYVUICRCMARGES-MAYCQVCUSA-N
MW165.24 g/mol
LogP1.72
Rot. Bonds

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

(8Z,10aS)-2,5,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one (PubChem CID 134862784) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (8Z,10aS)-2,5,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one.

Molecular Properties

Compound Name(8Z,10aS)-2,5,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one
PubChem CID134862784
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(8Z,10aS)-2,5,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one
SMILESO=C1CC[C@H]2C/C=C\CCCN12
InChIInChI=1S/C10H15NO/c12-10-7-6-9-5-3-1-2-4-8-11(9)10/h1,3,9H,2,4-8H2/b3-1-/t9-/m1/s1
InChIKeyCYVUICRCMARGES-MAYCQVCUSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8Z,10aS)-2,5,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one?
The IUPAC name of (8Z,10aS)-2,5,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one (CID 134862784) is (8Z,10aS)-2,5,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one.
What is the SMILES notation for (8Z,10aS)-2,5,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one?
The canonical SMILES for (8Z,10aS)-2,5,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one is O=C1CC[C@H]2C/C=C\CCCN12.
What is the InChIKey of (8Z,10aS)-2,5,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one?
The InChIKey is CYVUICRCMARGES-MAYCQVCUSA-N. The full InChI is InChI=1S/C10H15NO/c12-10-7-6-9-5-3-1-2-4-8-11(9)10/h1,3,9H,2,4-8H2/b3-1-/t9-/m1/s1.
What are the key properties of (8Z,10aS)-2,5,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one?
(8Z,10aS)-2,5,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one has a molecular weight of 165.24 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,10aS)-2,5,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one is sourced from PubChem (CID 134862784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).