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

C7H13NO — CID 55295893

IUPAC(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol
SMILESOC1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C7H13NO/c9-7-1-5-3-8-4-6(5)2-7/h5-9H,1-4H2/t5-,6+,7?
InChIKeyJTWNGNLQNPZTSM-MEKDEQNOSA-N
MW127.19 g/mol
LogP-0.02
Rot. Bonds

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

(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol (PubChem CID 55295893) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol
PubChem CID55295893
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol
SMILESOC1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C7H13NO/c9-7-1-5-3-8-4-6(5)2-7/h5-9H,1-4H2/t5-,6+,7?
InChIKeyJTWNGNLQNPZTSM-MEKDEQNOSA-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

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol?
The IUPAC name of (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol (CID 55295893) is (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol?
The canonical SMILES for (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol is OC1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol?
The InChIKey is JTWNGNLQNPZTSM-MEKDEQNOSA-N. The full InChI is InChI=1S/C7H13NO/c9-7-1-5-3-8-4-6(5)2-7/h5-9H,1-4H2/t5-,6+,7?.
What are the key properties of (3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol?
(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-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,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 55295893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).