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

C15H28N2O — CID 129149585

IUPAC1-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol
SMILESCN1C[C@H]2CN(CC3(O)CCCCC3)C[C@@]2(C)C1
InChIInChI=1S/C15H28N2O/c1-14-10-16(2)8-13(14)9-17(11-14)12-15(18)6-4-3-5-7-15/h13,18H,3-12H2,1-2H3/t13-,14+/m0/s1
InChIKeySMORTQTYRJMJAV-UONOGXRCSA-N
MW252.40 g/mol
LogP1.57
Rot. Bonds2

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

1-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol (PubChem CID 129149585) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol
PubChem CID129149585
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol
SMILESCN1C[C@H]2CN(CC3(O)CCCCC3)C[C@@]2(C)C1
InChIInChI=1S/C15H28N2O/c1-14-10-16(2)8-13(14)9-17(11-14)12-15(18)6-4-3-5-7-15/h13,18H,3-12H2,1-2H3/t13-,14+/m0/s1
InChIKeySMORTQTYRJMJAV-UONOGXRCSA-N
XLogP1.57
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol
CID 118534899
1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 65208757
1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
1-[(3,3-dimethylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 115825265
2,3a-dimethyl-5-[(1-methylpiperidin-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 167009734
1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol
CID 115277735
1-[(3,3-dimethoxyazetidin-1-yl)methyl]cyclohexan-1-ol
CID 104549899
1-[(4-ethylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 60723383
1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 63631721
1-[(3-ethoxyazetidin-1-yl)methyl]cyclopentan-1-ol
CID 126846884
3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol
CID 84731876
3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid
CID 65213623

Frequently Asked Questions

What is the IUPAC name of 1-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol (CID 129149585) is 1-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol is CN1C[C@H]2CN(CC3(O)CCCCC3)C[C@@]2(C)C1.
What is the InChIKey of 1-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol?
The InChIKey is SMORTQTYRJMJAV-UONOGXRCSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14-10-16(2)8-13(14)9-17(11-14)12-15(18)6-4-3-5-7-15/h13,18H,3-12H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of 1-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol?
1-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3aR,6aS)-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 129149585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).