[(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol

C11H21NO — CID 101235795

IUPAC[(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol
SMILESOC[C@@H]1CCCCC[C@@H]2CCCN21
InChIInChI=1S/C11H21NO/c13-9-11-6-3-1-2-5-10-7-4-8-12(10)11/h10-11,13H,1-9H2/t10-,11+/m1/s1
InChIKeyAHGZTOMJWCMHNU-MNOVXSKESA-N
MW183.29 g/mol
LogP1.78
Rot. Bonds1

About [(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol

[(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol (PubChem CID 101235795) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol.

Molecular Properties

Compound Name[(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol
PubChem CID101235795
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol
SMILESOC[C@@H]1CCCCC[C@@H]2CCCN21
InChIInChI=1S/C11H21NO/c13-9-11-6-3-1-2-5-10-7-4-8-12(10)11/h10-11,13H,1-9H2/t10-,11+/m1/s1
InChIKeyAHGZTOMJWCMHNU-MNOVXSKESA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-7-((3R,5S,7aR)-5-Methyl-hexahydro-pyrrolizin-3-yl)-heptan-2-ol
CID 12049951
(R)-7-((3R,5S,7aR)-5-Methyl-hexahydro-pyrrolizin-3-yl)-heptan-2-ol
CID 12049952
(Hexahydro-1H-pyrrolizin-3-yl)methanol
CID 13013221
5-Hydroxymethyl-3-methylpyrrolizidine
CID 13013227
3-(5-Methylhexahydro-1H-pyrrolizin-3-yl)propan-1-ol
CID 71389045
3-(Hexahydro-1H-pyrrolizin-3-yl)propan-1-ol
CID 71389046
3-(2-Hydroxyethyl)pyrrolizidine
CID 129784567
(1-Methylazocan-2-yl)methanol
CID 408875
(1-Methylazocan-2-yl)methanol;hydroiodide
CID 24182433
7-((3S,5R,7aS)-5-Methylhexahydro-1H-pyrrolizin-3-yl)heptan-2-ol
CID 74932613
((3S,7AR)-hexahydro-1H-pyrrolizin-3-yl)methanol
CID 13013222
1-(2-Propylpyrrolidin-1-yl)octan-1-ol
CID 18419654

Frequently Asked Questions

What is the IUPAC name of [(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol?
The IUPAC name of [(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol (CID 101235795) is [(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol.
What is the SMILES notation for [(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol?
The canonical SMILES for [(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol is OC[C@@H]1CCCCC[C@@H]2CCCN21.
What is the InChIKey of [(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol?
The InChIKey is AHGZTOMJWCMHNU-MNOVXSKESA-N. The full InChI is InChI=1S/C11H21NO/c13-9-11-6-3-1-2-5-10-7-4-8-12(10)11/h10-11,13H,1-9H2/t10-,11+/m1/s1.
What are the key properties of [(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol?
[(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol has a molecular weight of 183.29 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol is sourced from PubChem (CID 101235795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).