3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol

C12H21NO2 — CID 115763463

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol
SMILESOC1CCOCC1N1CC2CCCC2C1
InChIInChI=1S/C12H21NO2/c14-12-4-5-15-8-11(12)13-6-9-2-1-3-10(9)7-13/h9-12,14H,1-8H2
InChIKeyIVMUBZXRNWQQJD-UHFFFAOYSA-N
MW211.30 g/mol
LogP0.87
Rot. Bonds1

About 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol (PubChem CID 115763463) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol
PubChem CID115763463
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol
SMILESOC1CCOCC1N1CC2CCCC2C1
InChIInChI=1S/C12H21NO2/c14-12-4-5-15-8-11(12)13-6-9-2-1-3-10(9)7-13/h9-12,14H,1-8H2
InChIKeyIVMUBZXRNWQQJD-UHFFFAOYSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol (CID 115763463) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol is OC1CCOCC1N1CC2CCCC2C1.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol?
The InChIKey is IVMUBZXRNWQQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12-4-5-15-8-11(12)13-6-9-2-1-3-10(9)7-13/h9-12,14H,1-8H2.
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol has a molecular weight of 211.30 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol is sourced from PubChem (CID 115763463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).