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

C12H24N2O — CID 126724942

IUPAC3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
SMILESCC(C)N1C[C@H]2CN(CCCO)C[C@H]2C1
InChIInChI=1S/C12H24N2O/c1-10(2)14-8-11-6-13(4-3-5-15)7-12(11)9-14/h10-12,15H,3-9H2,1-2H3/t11-,12+
InChIKeyUSQCOHXNNVEFPS-TXEJJXNPSA-N
MW212.34 g/mol
LogP0.64
Rot. Bonds4

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

3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol (PubChem CID 126724942) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
PubChem CID126724942
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
SMILESCC(C)N1C[C@H]2CN(CCCO)C[C@H]2C1
InChIInChI=1S/C12H24N2O/c1-10(2)14-8-11-6-13(4-3-5-15)7-12(11)9-14/h10-12,15H,3-9H2,1-2H3/t11-,12+
InChIKeyUSQCOHXNNVEFPS-TXEJJXNPSA-N
XLogP0.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol?
The IUPAC name of 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) is 3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol?
The canonical SMILES for 3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol is CC(C)N1C[C@H]2CN(CCCO)C[C@H]2C1.
What is the InChIKey of 3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol?
The InChIKey is USQCOHXNNVEFPS-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)14-8-11-6-13(4-3-5-15)7-12(11)9-14/h10-12,15H,3-9H2,1-2H3/t11-,12+.
What are the key properties of 3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol?
3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol is sourced from PubChem (CID 126724942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).