(3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol

C7H13NO — CID 99123348

IUPAC(3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
SMILESO[C@@H]1CC[C@@H]2CNC[C@H]21
InChIInChI=1S/C7H13NO/c9-7-2-1-5-3-8-4-6(5)7/h5-9H,1-4H2/t5-,6-,7-/m1/s1
InChIKeyZOBDURRZNGBULZ-FSDSQADBSA-N
MW127.19 g/mol
LogP-0.02
Rot. Bonds

About (3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol

(3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol (PubChem CID 99123348) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name(3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
PubChem CID99123348
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol
SMILESO[C@@H]1CC[C@@H]2CNC[C@H]21
InChIInChI=1S/C7H13NO/c9-7-2-1-5-3-8-4-6(5)7/h5-9H,1-4H2/t5-,6-,7-/m1/s1
InChIKeyZOBDURRZNGBULZ-FSDSQADBSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol with MolForge

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Related Compounds

(3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride
CID 91800946
(3aR,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
CID 72942391
(3aR,4S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-ol
CID 130759633
2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-4,7-diol
CID 176808820
(4aS,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ol
CID 155904641
(1S,5S)-3-azabicyclo[3.2.1]octan-8-ol
CID 98114773
(4S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-4-ol;hydrochloride
CID 155822040
(1S,5S)-3-azabicyclo[3.2.0]heptane
CID 86330104
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-5,8-diol
CID 117046492
(3aS,4R,6aR)-4-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 96581815
(2S)-bicyclo[3.1.0]hexan-2-ol
CID 145089467
(1S,7R)-4-azatricyclo[5.2.1.02,6]decane
CID 55254914

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol?
The IUPAC name of (3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol (CID 99123348) is (3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for (3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol?
The canonical SMILES for (3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol is O[C@@H]1CC[C@@H]2CNC[C@H]21.
What is the InChIKey of (3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol?
The InChIKey is ZOBDURRZNGBULZ-FSDSQADBSA-N. The full InChI is InChI=1S/C7H13NO/c9-7-2-1-5-3-8-4-6(5)7/h5-9H,1-4H2/t5-,6-,7-/m1/s1.
What are the key properties of (3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol?
(3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol has a molecular weight of 127.19 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 99123348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).