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

C7H13NO — CID 55300116

IUPAC(3aR,6R,6aS)-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+/m1/s1
InChIKeyRVUBHWGJRCJPSK-QYNIQEEDSA-N
MW127.19 g/mol
LogP0.12
Rot. Bonds

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

(3aR,6R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol (PubChem CID 55300116) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3aR,6R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol.

Molecular Properties

Compound Name(3aR,6R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol
PubChem CID55300116
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3aR,6R,6aS)-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+/m1/s1
InChIKeyRVUBHWGJRCJPSK-QYNIQEEDSA-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

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol?
The IUPAC name of (3aR,6R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol (CID 55300116) is (3aR,6R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol.
What is the SMILES notation for (3aR,6R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol?
The canonical SMILES for (3aR,6R,6aS)-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 (3aR,6R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol?
The InChIKey is RVUBHWGJRCJPSK-QYNIQEEDSA-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+/m1/s1.
What are the key properties of (3aR,6R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol?
(3aR,6R,6aS)-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 (3aR,6R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-6-ol is sourced from PubChem (CID 55300116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).