2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,5-diol

C7H13NO2 — CID 91439417

IUPAC2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,5-diol
SMILESOC1(O)CC2CNCC2C1
InChIInChI=1S/C7H13NO2/c9-7(10)1-5-3-8-4-6(5)2-7/h5-6,8-10H,1-4H2
InChIKeyCNUJNJYQUDIAES-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.70
Rot. Bonds

About 2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,5-diol

2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,5-diol (PubChem CID 91439417) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,5-diol.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,5-diol
PubChem CID91439417
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,5-diol
SMILESOC1(O)CC2CNCC2C1
InChIInChI=1S/C7H13NO2/c9-7(10)1-5-3-8-4-6(5)2-7/h5-6,8-10H,1-4H2
InChIKeyCNUJNJYQUDIAES-UHFFFAOYSA-N
XLogP-0.70
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,5-diol?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,5-diol (CID 91439417) is 2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,5-diol.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,5-diol?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,5-diol is OC1(O)CC2CNCC2C1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,5-diol?
The InChIKey is CNUJNJYQUDIAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-7(10)1-5-3-8-4-6(5)2-7/h5-6,8-10H,1-4H2.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,5-diol?
2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,5-diol has a molecular weight of 143.19 g/mol, XLogP of -0.70, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5,5-diol is sourced from PubChem (CID 91439417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).