1-butoxypyrrolidine

C8H17NO — CID 57497521

IUPAC1-butoxypyrrolidine
SMILESCCCCON1CCCC1
InChIInChI=1S/C8H17NO/c1-2-3-8-10-9-6-4-5-7-9/h2-8H2,1H3
InChIKeyPXXANNLCQCVWMW-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.81
Rot. Bonds4

About 1-butoxypyrrolidine

1-butoxypyrrolidine (PubChem CID 57497521) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-butoxypyrrolidine.

Molecular Properties

Compound Name1-butoxypyrrolidine
PubChem CID57497521
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-butoxypyrrolidine
SMILESCCCCON1CCCC1
InChIInChI=1S/C8H17NO/c1-2-3-8-10-9-6-4-5-7-9/h2-8H2,1H3
InChIKeyPXXANNLCQCVWMW-UHFFFAOYSA-N
XLogP1.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.81
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-butoxypyrrolidine?
The IUPAC name of 1-butoxypyrrolidine (CID 57497521) is 1-butoxypyrrolidine.
What is the SMILES notation for 1-butoxypyrrolidine?
The canonical SMILES for 1-butoxypyrrolidine is CCCCON1CCCC1.
What is the InChIKey of 1-butoxypyrrolidine?
The InChIKey is PXXANNLCQCVWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-8-10-9-6-4-5-7-9/h2-8H2,1H3.
What are the key properties of 1-butoxypyrrolidine?
1-butoxypyrrolidine has a molecular weight of 143.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxypyrrolidine is sourced from PubChem (CID 57497521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).