4-butoxy-2-propylpyrrolidine

C11H23NO — CID 102568603

IUPAC4-butoxy-2-propylpyrrolidine
SMILESCCCCOC1CNC(CCC)C1
InChIInChI=1S/C11H23NO/c1-3-5-7-13-11-8-10(6-4-2)12-9-11/h10-12H,3-9H2,1-2H3
InChIKeyXNVFDPPEFDNWDR-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds6

About 4-butoxy-2-propylpyrrolidine

4-butoxy-2-propylpyrrolidine (PubChem CID 102568603) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-butoxy-2-propylpyrrolidine.

Molecular Properties

Compound Name4-butoxy-2-propylpyrrolidine
PubChem CID102568603
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-butoxy-2-propylpyrrolidine
SMILESCCCCOC1CNC(CCC)C1
InChIInChI=1S/C11H23NO/c1-3-5-7-13-11-8-10(6-4-2)12-9-11/h10-12H,3-9H2,1-2H3
InChIKeyXNVFDPPEFDNWDR-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-4-butoxy-2-butylpyrrolidine
CID 99994485
(2S,4S)-4-butoxy-2-ethylpyrrolidine
CID 99994451
(2S,4S)-4-ethoxy-2-propylpyrrolidine
CID 99994308
(2S,4R)-2-butyl-4-ethoxypyrrolidine
CID 99994328
[(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol
CID 155531919
[(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol;hydrochloride
CID 155531918
(2R,4S)-2-butyl-4-(2-methylpropoxy)pyrrolidine
CID 99994645
(2S,4S)-4-butoxy-2-propan-2-ylpyrrolidine
CID 99994491
(2S,4R)-2-ethyl-4-propoxypyrrolidine
CID 99994381
(2R,4S)-2-butyl-4-methoxypyrrolidine
CID 99994244
(2R,4R)-4-butoxypyrrolidine-2-carboxylic acid
CID 126667812
(2S,4S)-2-ethyl-4-(2-methoxyethoxy)pyrrolidine
CID 99994845

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-propylpyrrolidine?
The IUPAC name of 4-butoxy-2-propylpyrrolidine (CID 102568603) is 4-butoxy-2-propylpyrrolidine.
What is the SMILES notation for 4-butoxy-2-propylpyrrolidine?
The canonical SMILES for 4-butoxy-2-propylpyrrolidine is CCCCOC1CNC(CCC)C1.
What is the InChIKey of 4-butoxy-2-propylpyrrolidine?
The InChIKey is XNVFDPPEFDNWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-7-13-11-8-10(6-4-2)12-9-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-butoxy-2-propylpyrrolidine?
4-butoxy-2-propylpyrrolidine has a molecular weight of 185.31 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-propylpyrrolidine is sourced from PubChem (CID 102568603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).