3-(3-methylbut-2-enoxy)pyrrolidine

C9H17NO — CID 62328616

IUPAC3-(3-methylbut-2-enoxy)pyrrolidine
SMILESCC(C)=CCOC1CCNC1
InChIInChI=1S/C9H17NO/c1-8(2)4-6-11-9-3-5-10-7-9/h4,9-10H,3,5-7H2,1-2H3
InChIKeyJLLFSFHUIKRXTJ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds3

About 3-(3-methylbut-2-enoxy)pyrrolidine

3-(3-methylbut-2-enoxy)pyrrolidine (PubChem CID 62328616) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(3-methylbut-2-enoxy)pyrrolidine.

Molecular Properties

Compound Name3-(3-methylbut-2-enoxy)pyrrolidine
PubChem CID62328616
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(3-methylbut-2-enoxy)pyrrolidine
SMILESCC(C)=CCOC1CCNC1
InChIInChI=1S/C9H17NO/c1-8(2)4-6-11-9-3-5-10-7-9/h4,9-10H,3,5-7H2,1-2H3
InChIKeyJLLFSFHUIKRXTJ-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-methylbut-2-enoxy)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enoxy)pyrrolidine?
The IUPAC name of 3-(3-methylbut-2-enoxy)pyrrolidine (CID 62328616) is 3-(3-methylbut-2-enoxy)pyrrolidine.
What is the SMILES notation for 3-(3-methylbut-2-enoxy)pyrrolidine?
The canonical SMILES for 3-(3-methylbut-2-enoxy)pyrrolidine is CC(C)=CCOC1CCNC1.
What is the InChIKey of 3-(3-methylbut-2-enoxy)pyrrolidine?
The InChIKey is JLLFSFHUIKRXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)4-6-11-9-3-5-10-7-9/h4,9-10H,3,5-7H2,1-2H3.
What are the key properties of 3-(3-methylbut-2-enoxy)pyrrolidine?
3-(3-methylbut-2-enoxy)pyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enoxy)pyrrolidine is sourced from PubChem (CID 62328616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).