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

C7H13NO — CID 124585351

IUPAC(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol
SMILESO[C@@H]1CC[C@H]2CCN[C@H]21
InChIInChI=1S/C7H13NO/c9-6-2-1-5-3-4-8-7(5)6/h5-9H,1-4H2/t5-,6+,7+/m0/s1
InChIKeyRVUBHWGJRCJPSK-RRKCRQDMSA-N
MW127.19 g/mol
LogP0.12
Rot. Bonds

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

(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol (PubChem CID 124585351) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol.

Molecular Properties

Compound Name(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol
PubChem CID124585351
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol
SMILESO[C@@H]1CC[C@H]2CCN[C@H]21
InChIInChI=1S/C7H13NO/c9-6-2-1-5-3-4-8-7(5)6/h5-9H,1-4H2/t5-,6+,7+/m0/s1
InChIKeyRVUBHWGJRCJPSK-RRKCRQDMSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

Cyclopenta(b)pyrrol-6-ol, 1,2,3,4-tetrahydro-2-methyl-
CID 3056674
Octahydrocyclopenta[b]pyrrol-6-ol hydrochloride
CID 146296789
rac-(3aR,6S,6aS)-octahydrocyclopenta(b)pyrrol-6-ol hydrochloride
CID 146296791
rac-(3aR,6R,6aS)-octahydrocyclopenta[b]pyrrol-6-olhydrochloride
CID 137943582
rac-(3R,3aR,6aS)-octahydrocyclopenta[b]pyrrol-3-ol hydrochloride
CID 137966047
rac-(3aR,6R,6aS)-octahydrocyclopenta[b]pyrrol-6-ol hydrochloride
CID 178189927
[(2S,3AS,6aS)-octahydrocyclopenta[b]pyrrol-2-yl]methanol
CID 14690414
Rel-(3S,3aS,6aR)-octahydrocyclopenta[b]pyrrol-3-ol
CID 135353780
1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[b]pyrrol-6-ol;2,2,2-trifluoroacetic acid
CID 177762615
1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[b]pyrrol-2-ylmethanol
CID 14690413
Rac-(3ar,6r,6as)-octahydrocyclopenta[b]pyrrol-6-ol
CID 55300116
(3aR,6R,6aS)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol
CID 55300119

Frequently Asked Questions

What is the IUPAC name of (3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol?
The IUPAC name of (3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol (CID 124585351) is (3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol.
What is the SMILES notation for (3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol?
The canonical SMILES for (3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol is O[C@@H]1CC[C@H]2CCN[C@H]21.
What is the InChIKey of (3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol?
The InChIKey is RVUBHWGJRCJPSK-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H13NO/c9-6-2-1-5-3-4-8-7(5)6/h5-9H,1-4H2/t5-,6+,7+/m0/s1.
What are the key properties of (3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol?
(3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol has a molecular weight of 127.19 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol is sourced from PubChem (CID 124585351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).