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

C9H18N2O — CID 64851220

IUPAC3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propan-1-ol
SMILESOCCCN1C[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C9H18N2O/c12-5-1-4-11-6-8-2-3-10-9(8)7-11/h8-10,12H,1-7H2/t8-,9+/m0/s1
InChIKeyAKIXFYZOYXOJBK-DTWKUNHWSA-N
MW170.26 g/mol
LogP-0.34
Rot. Bonds3

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

3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propan-1-ol (PubChem CID 64851220) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propan-1-ol
PubChem CID64851220
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propan-1-ol
SMILESOCCCN1C[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C9H18N2O/c12-5-1-4-11-6-8-2-3-10-9(8)7-11/h8-10,12H,1-7H2/t8-,9+/m0/s1
InChIKeyAKIXFYZOYXOJBK-DTWKUNHWSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propan-1-ol?
The IUPAC name of 3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propan-1-ol (CID 64851220) is 3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propan-1-ol?
The canonical SMILES for 3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propan-1-ol is OCCCN1C[C@@H]2CCN[C@@H]2C1.
What is the InChIKey of 3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propan-1-ol?
The InChIKey is AKIXFYZOYXOJBK-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18N2O/c12-5-1-4-11-6-8-2-3-10-9(8)7-11/h8-10,12H,1-7H2/t8-,9+/m0/s1.
What are the key properties of 3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propan-1-ol?
3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propan-1-ol has a molecular weight of 170.26 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]propan-1-ol is sourced from PubChem (CID 64851220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).