1-pentoxypyrrolidine

C9H19NO — CID 57497529

IUPAC1-pentoxypyrrolidine
SMILESCCCCCON1CCCC1
InChIInChI=1S/C9H19NO/c1-2-3-6-9-11-10-7-4-5-8-10/h2-9H2,1H3
InChIKeyVXPDAMUREWZBCH-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.20
Rot. Bonds5

About 1-pentoxypyrrolidine

1-pentoxypyrrolidine (PubChem CID 57497529) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-pentoxypyrrolidine.

Molecular Properties

Compound Name1-pentoxypyrrolidine
PubChem CID57497529
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-pentoxypyrrolidine
SMILESCCCCCON1CCCC1
InChIInChI=1S/C9H19NO/c1-2-3-6-9-11-10-7-4-5-8-10/h2-9H2,1H3
InChIKeyVXPDAMUREWZBCH-UHFFFAOYSA-N
XLogP2.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
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 1-pentoxypyrrolidine?
The IUPAC name of 1-pentoxypyrrolidine (CID 57497529) is 1-pentoxypyrrolidine.
What is the SMILES notation for 1-pentoxypyrrolidine?
The canonical SMILES for 1-pentoxypyrrolidine is CCCCCON1CCCC1.
What is the InChIKey of 1-pentoxypyrrolidine?
The InChIKey is VXPDAMUREWZBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-3-6-9-11-10-7-4-5-8-10/h2-9H2,1H3.
What are the key properties of 1-pentoxypyrrolidine?
1-pentoxypyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxypyrrolidine is sourced from PubChem (CID 57497529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).