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

C12H21NO2 — CID 102894030

IUPAC3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)oxan-4-ol
SMILESOC1CCOCC1C1NCC2CCCC21
InChIInChI=1S/C12H21NO2/c14-11-4-5-15-7-10(11)12-9-3-1-2-8(9)6-13-12/h8-14H,1-7H2
InChIKeyNIRRWJLZYYDHDO-UHFFFAOYSA-N
MW211.30 g/mol
LogP0.77
Rot. Bonds1

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

3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)oxan-4-ol (PubChem CID 102894030) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)oxan-4-ol.

Molecular Properties

Compound Name3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)oxan-4-ol
PubChem CID102894030
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)oxan-4-ol
SMILESOC1CCOCC1C1NCC2CCCC21
InChIInChI=1S/C12H21NO2/c14-11-4-5-15-7-10(11)12-9-3-1-2-8(9)6-13-12/h8-14H,1-7H2
InChIKeyNIRRWJLZYYDHDO-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)oxan-4-ol?
The IUPAC name of 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)oxan-4-ol (CID 102894030) is 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)oxan-4-ol.
What is the SMILES notation for 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)oxan-4-ol?
The canonical SMILES for 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)oxan-4-ol is OC1CCOCC1C1NCC2CCCC21.
What is the InChIKey of 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)oxan-4-ol?
The InChIKey is NIRRWJLZYYDHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-11-4-5-15-7-10(11)12-9-3-1-2-8(9)6-13-12/h8-14H,1-7H2.
What are the key properties of 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)oxan-4-ol?
3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)oxan-4-ol has a molecular weight of 211.30 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)oxan-4-ol is sourced from PubChem (CID 102894030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).