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

C13H24N2O — CID 66208050

IUPAC2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol
SMILESCC1C2CNCC2CN1C1CCCCC1O
InChIInChI=1S/C13H24N2O/c1-9-11-7-14-6-10(11)8-15(9)12-4-2-3-5-13(12)16/h9-14,16H,2-8H2,1H3
InChIKeyAQCQODLAUFBUIE-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.83
Rot. Bonds1

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

2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol (PubChem CID 66208050) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol
PubChem CID66208050
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol
SMILESCC1C2CNCC2CN1C1CCCCC1O
InChIInChI=1S/C13H24N2O/c1-9-11-7-14-6-10(11)8-15(9)12-4-2-3-5-13(12)16/h9-14,16H,2-8H2,1H3
InChIKeyAQCQODLAUFBUIE-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol?
The IUPAC name of 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol (CID 66208050) is 2-(4-methyl-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-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol is CC1C2CNCC2CN1C1CCCCC1O.
What is the InChIKey of 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol?
The InChIKey is AQCQODLAUFBUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9-11-7-14-6-10(11)8-15(9)12-4-2-3-5-13(12)16/h9-14,16H,2-8H2,1H3.
What are the key properties of 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol?
2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)cyclohexan-1-ol is sourced from PubChem (CID 66208050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).