3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol

C12H24N2O — CID 142385992

IUPAC3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol
SMILESCN1CC2(C)CN(CCCO)CC2(C)C1
InChIInChI=1S/C12H24N2O/c1-11-7-13(3)8-12(11,2)10-14(9-11)5-4-6-15/h15H,4-10H2,1-3H3
InChIKeyHGTLPHZLLQDWKK-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.64
Rot. Bonds3

About 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol

3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol (PubChem CID 142385992) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol
PubChem CID142385992
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol
SMILESCN1CC2(C)CN(CCCO)CC2(C)C1
InChIInChI=1S/C12H24N2O/c1-11-7-13(3)8-12(11,2)10-14(9-11)5-4-6-15/h15H,4-10H2,1-3H3
InChIKeyHGTLPHZLLQDWKK-UHFFFAOYSA-N
XLogP0.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol
CID 164680698
3-[(3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
CID 118531468
3-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-ol
CID 118534988
3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
CID 126724942
1-(2-Methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol
CID 126735777
(3aS,6aR)-5-(3-methoxypropyl)-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 134351464
3-(2,3a,6a-Trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane
CID 142385991
3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-ol;ethane
CID 142409451
Ethane;3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol
CID 144962724
3-[(3aR,6aS)-5-iodo-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
CID 155472504
3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-ol;ethane;methane;propane
CID 156720200
ethane;5-ethyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;methanol
CID 177194476

Frequently Asked Questions

What is the IUPAC name of 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol?
The IUPAC name of 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol (CID 142385992) is 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol?
The canonical SMILES for 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol is CN1CC2(C)CN(CCCO)CC2(C)C1.
What is the InChIKey of 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol?
The InChIKey is HGTLPHZLLQDWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11-7-13(3)8-12(11,2)10-14(9-11)5-4-6-15/h15H,4-10H2,1-3H3.
What are the key properties of 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol?
3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol is sourced from PubChem (CID 142385992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).