1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol

C14H26N2O — CID 118534899

IUPAC1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol
SMILESCN1C[C@@H]2CN(CC3(O)CCCCC3)C[C@@H]2C1
InChIInChI=1S/C14H26N2O/c1-15-7-12-9-16(10-13(12)8-15)11-14(17)5-3-2-4-6-14/h12-13,17H,2-11H2,1H3/t12-,13+
InChIKeyMHFXXVYJJRXFGI-BETUJISGSA-N
MW238.37 g/mol
LogP1.17
Rot. Bonds2

About 1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol

1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol (PubChem CID 118534899) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol
PubChem CID118534899
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol
SMILESCN1C[C@@H]2CN(CC3(O)CCCCC3)C[C@@H]2C1
InChIInChI=1S/C14H26N2O/c1-15-7-12-9-16(10-13(12)8-15)11-14(17)5-3-2-4-6-14/h12-13,17H,2-11H2,1H3/t12-,13+
InChIKeyMHFXXVYJJRXFGI-BETUJISGSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol (CID 118534899) is 1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol is CN1C[C@@H]2CN(CC3(O)CCCCC3)C[C@@H]2C1.
What is the InChIKey of 1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol?
The InChIKey is MHFXXVYJJRXFGI-BETUJISGSA-N. The full InChI is InChI=1S/C14H26N2O/c1-15-7-12-9-16(10-13(12)8-15)11-14(17)5-3-2-4-6-14/h12-13,17H,2-11H2,1H3/t12-,13+.
What are the key properties of 1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol?
1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 118534899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).