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

C10H20N2O — CID 64851031

IUPAC4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]butan-1-ol
SMILESOCCCCN1C[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C10H20N2O/c13-6-2-1-5-12-7-9-3-4-11-10(9)8-12/h9-11,13H,1-8H2/t9-,10+/m0/s1
InChIKeyQDLHNCVCGYMXIX-VHSXEESVSA-N
MW184.28 g/mol
LogP0.05
Rot. Bonds4

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

4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]butan-1-ol (PubChem CID 64851031) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]butan-1-ol.

Molecular Properties

Compound Name4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]butan-1-ol
PubChem CID64851031
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]butan-1-ol
SMILESOCCCCN1C[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C10H20N2O/c13-6-2-1-5-12-7-9-3-4-11-10(9)8-12/h9-11,13H,1-8H2/t9-,10+/m0/s1
InChIKeyQDLHNCVCGYMXIX-VHSXEESVSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]butan-1-ol?
The IUPAC name of 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]butan-1-ol (CID 64851031) is 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]butan-1-ol.
What is the SMILES notation for 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]butan-1-ol?
The canonical SMILES for 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]butan-1-ol is OCCCCN1C[C@@H]2CCN[C@@H]2C1.
What is the InChIKey of 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]butan-1-ol?
The InChIKey is QDLHNCVCGYMXIX-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20N2O/c13-6-2-1-5-12-7-9-3-4-11-10(9)8-12/h9-11,13H,1-8H2/t9-,10+/m0/s1.
What are the key properties of 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]butan-1-ol?
4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]butan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]butan-1-ol is sourced from PubChem (CID 64851031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).