1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine

C17H31NO2 — CID 135317250

IUPAC1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine
SMILESCC1(CCCC=CC2CCN(C(C)(C)C)C2)OCCO1
InChIInChI=1S/C17H31NO2/c1-16(2,3)18-11-9-15(14-18)8-6-5-7-10-17(4)19-12-13-20-17/h6,8,15H,5,7,9-14H2,1-4H3
InChIKeyGOEYFYGNQCXTLZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.60
Rot. Bonds5

About 1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine

1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine (PubChem CID 135317250) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine
PubChem CID135317250
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine
SMILESCC1(CCCC=CC2CCN(C(C)(C)C)C2)OCCO1
InChIInChI=1S/C17H31NO2/c1-16(2,3)18-11-9-15(14-18)8-6-5-7-10-17(4)19-12-13-20-17/h6,8,15H,5,7,9-14H2,1-4H3
InChIKeyGOEYFYGNQCXTLZ-UHFFFAOYSA-N
XLogP3.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]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 1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine?
The IUPAC name of 1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine (CID 135317250) is 1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine.
What is the SMILES notation for 1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine?
The canonical SMILES for 1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine is CC1(CCCC=CC2CCN(C(C)(C)C)C2)OCCO1.
What is the InChIKey of 1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine?
The InChIKey is GOEYFYGNQCXTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-16(2,3)18-11-9-15(14-18)8-6-5-7-10-17(4)19-12-13-20-17/h6,8,15H,5,7,9-14H2,1-4H3.
What are the key properties of 1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine?
1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine has a molecular weight of 281.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-enyl]pyrrolidine is sourced from PubChem (CID 135317250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).