1-methyl-3-pentoxypyrrolidine

C10H21NO — CID 57285189

IUPAC1-methyl-3-pentoxypyrrolidine
SMILESCCCCCOC1CCN(C)C1
InChIInChI=1S/C10H21NO/c1-3-4-5-8-12-10-6-7-11(2)9-10/h10H,3-9H2,1-2H3
InChIKeyMCPXPTBZXPAGSL-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds5

About 1-methyl-3-pentoxypyrrolidine

1-methyl-3-pentoxypyrrolidine (PubChem CID 57285189) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-methyl-3-pentoxypyrrolidine.

Molecular Properties

Compound Name1-methyl-3-pentoxypyrrolidine
PubChem CID57285189
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-methyl-3-pentoxypyrrolidine
SMILESCCCCCOC1CCN(C)C1
InChIInChI=1S/C10H21NO/c1-3-4-5-8-12-10-6-7-11(2)9-10/h10H,3-9H2,1-2H3
InChIKeyMCPXPTBZXPAGSL-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.90
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-methyl-3-pentoxypyrrolidine?
The IUPAC name of 1-methyl-3-pentoxypyrrolidine (CID 57285189) is 1-methyl-3-pentoxypyrrolidine.
What is the SMILES notation for 1-methyl-3-pentoxypyrrolidine?
The canonical SMILES for 1-methyl-3-pentoxypyrrolidine is CCCCCOC1CCN(C)C1.
What is the InChIKey of 1-methyl-3-pentoxypyrrolidine?
The InChIKey is MCPXPTBZXPAGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-5-8-12-10-6-7-11(2)9-10/h10H,3-9H2,1-2H3.
What are the key properties of 1-methyl-3-pentoxypyrrolidine?
1-methyl-3-pentoxypyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pentoxypyrrolidine is sourced from PubChem (CID 57285189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).