4-pentyl-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C12H23NO — CID 67800981

IUPAC4-pentyl-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCCCCCC1(O)CCC2CNCC21
InChIInChI=1S/C12H23NO/c1-2-3-4-6-12(14)7-5-10-8-13-9-11(10)12/h10-11,13-14H,2-9H2,1H3
InChIKeyXUSGBIMXEJAIOZ-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.93
Rot. Bonds4

About 4-pentyl-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

4-pentyl-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 67800981) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-pentyl-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name4-pentyl-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID67800981
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-pentyl-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESCCCCCC1(O)CCC2CNCC21
InChIInChI=1S/C12H23NO/c1-2-3-4-6-12(14)7-5-10-8-13-9-11(10)12/h10-11,13-14H,2-9H2,1H3
InChIKeyXUSGBIMXEJAIOZ-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-pentyl-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 4-pentyl-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 67800981) is 4-pentyl-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 4-pentyl-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 4-pentyl-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is CCCCCC1(O)CCC2CNCC21.
What is the InChIKey of 4-pentyl-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is XUSGBIMXEJAIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-6-12(14)7-5-10-8-13-9-11(10)12/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 4-pentyl-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
4-pentyl-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 197.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 67800981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).