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

C11H22N2O — CID 62924174

IUPAC5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol
SMILESOCCCCCN1CC2CNCC2C1
InChIInChI=1S/C11H22N2O/c14-5-3-1-2-4-13-8-10-6-12-7-11(10)9-13/h10-12,14H,1-9H2
InChIKeyBDCOVFDLDRPURI-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.30
Rot. Bonds5

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

5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol (PubChem CID 62924174) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol
PubChem CID62924174
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol
SMILESOCCCCCN1CC2CNCC2C1
InChIInChI=1S/C11H22N2O/c14-5-3-1-2-4-13-8-10-6-12-7-11(10)9-13/h10-12,14H,1-9H2
InChIKeyBDCOVFDLDRPURI-UHFFFAOYSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.30
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 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol?
The IUPAC name of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol (CID 62924174) is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol.
What is the SMILES notation for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol?
The canonical SMILES for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol is OCCCCCN1CC2CNCC2C1.
What is the InChIKey of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol?
The InChIKey is BDCOVFDLDRPURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c14-5-3-1-2-4-13-8-10-6-12-7-11(10)9-13/h10-12,14H,1-9H2.
What are the key properties of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol?
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentan-1-ol is sourced from PubChem (CID 62924174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).