10a-(hydroxymethyl)-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocin-5-one

C11H19NO2 — CID 101425581

IUPAC10a-(hydroxymethyl)-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocin-5-one
SMILESO=C1CCCCCC2(CO)CCCN12
InChIInChI=1S/C11H19NO2/c13-9-11-6-3-1-2-5-10(14)12(11)8-4-7-11/h13H,1-9H2
InChIKeyFSISLHRWSVPKTI-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.30
Rot. Bonds1

About 10a-(hydroxymethyl)-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocin-5-one

10a-(hydroxymethyl)-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocin-5-one (PubChem CID 101425581) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 10a-(hydroxymethyl)-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocin-5-one.

Molecular Properties

Compound Name10a-(hydroxymethyl)-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocin-5-one
PubChem CID101425581
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name10a-(hydroxymethyl)-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocin-5-one
SMILESO=C1CCCCCC2(CO)CCCN12
InChIInChI=1S/C11H19NO2/c13-9-11-6-3-1-2-5-10(14)12(11)8-4-7-11/h13H,1-9H2
InChIKeyFSISLHRWSVPKTI-UHFFFAOYSA-N
XLogP1.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10a-(hydroxymethyl)-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocin-5-one?
The IUPAC name of 10a-(hydroxymethyl)-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocin-5-one (CID 101425581) is 10a-(hydroxymethyl)-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocin-5-one.
What is the SMILES notation for 10a-(hydroxymethyl)-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocin-5-one?
The canonical SMILES for 10a-(hydroxymethyl)-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocin-5-one is O=C1CCCCCC2(CO)CCCN12.
What is the InChIKey of 10a-(hydroxymethyl)-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocin-5-one?
The InChIKey is FSISLHRWSVPKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-9-11-6-3-1-2-5-10(14)12(11)8-4-7-11/h13H,1-9H2.
What are the key properties of 10a-(hydroxymethyl)-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocin-5-one?
10a-(hydroxymethyl)-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocin-5-one has a molecular weight of 197.28 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10a-(hydroxymethyl)-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocin-5-one is sourced from PubChem (CID 101425581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).