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

C12H22N2O — CID 66211243

IUPAC2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol
SMILESOC1CCCCC1N1CC2CNCC2C1
InChIInChI=1S/C12H22N2O/c15-12-4-2-1-3-11(12)14-7-9-5-13-6-10(9)8-14/h9-13,15H,1-8H2
InChIKeyWSPNSQQOVLXHKX-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.44
Rot. Bonds1

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

2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol (PubChem CID 66211243) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol
PubChem CID66211243
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol
SMILESOC1CCCCC1N1CC2CNCC2C1
InChIInChI=1S/C12H22N2O/c15-12-4-2-1-3-11(12)14-7-9-5-13-6-10(9)8-14/h9-13,15H,1-8H2
InChIKeyWSPNSQQOVLXHKX-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol?
The IUPAC name of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol (CID 66211243) is 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol is OC1CCCCC1N1CC2CNCC2C1.
What is the InChIKey of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol?
The InChIKey is WSPNSQQOVLXHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-12-4-2-1-3-11(12)14-7-9-5-13-6-10(9)8-14/h9-13,15H,1-8H2.
What are the key properties of 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol?
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol is sourced from PubChem (CID 66211243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).