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

C7H13NO — CID 178195066

IUPAC(3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol
SMILESO[C@H]1CN[C@H]2CCC[C@H]21
InChIInChI=1S/C7H13NO/c9-7-4-8-6-3-1-2-5(6)7/h5-9H,1-4H2/t5-,6+,7+/m1/s1
InChIKeyOMTDZTIZMPWNBU-VQVTYTSYSA-N
MW127.19 g/mol
LogP0.12
Rot. Bonds

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

(3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol (PubChem CID 178195066) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol.

Molecular Properties

Compound Name(3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol
PubChem CID178195066
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol
SMILESO[C@H]1CN[C@H]2CCC[C@H]21
InChIInChI=1S/C7H13NO/c9-7-4-8-6-3-1-2-5(6)7/h5-9H,1-4H2/t5-,6+,7+/m1/s1
InChIKeyOMTDZTIZMPWNBU-VQVTYTSYSA-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 (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol with MolForge

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Related Compounds

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol
CID 83913910
(4S,4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-4-ol
CID 25067678
(4S,4aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
CID 22820323
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanol
CID 89010127
2-[(3S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl]ethanol
CID 129412678
trans-(1R,2R)-2-[(2R)-pyrrolidin-2-yl]cyclohexan-1-ol
CID 124709746
2-pyrrolidin-2-ylcyclooctan-1-ol
CID 79560078
2-piperidin-2-ylcyclododecan-1-ol
CID 79560081
(3S,3aS,7aS)-3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 92844990
(3S,3aR,7aS)-3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 55287432
(1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol
CID 11907324
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine
CID 163165908

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol?
The IUPAC name of (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol (CID 178195066) is (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol.
What is the SMILES notation for (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol?
The canonical SMILES for (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol is O[C@H]1CN[C@H]2CCC[C@H]21.
What is the InChIKey of (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol?
The InChIKey is OMTDZTIZMPWNBU-VQVTYTSYSA-N. The full InChI is InChI=1S/C7H13NO/c9-7-4-8-6-3-1-2-5(6)7/h5-9H,1-4H2/t5-,6+,7+/m1/s1.
What are the key properties of (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol?
(3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-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 (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-ol is sourced from PubChem (CID 178195066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).