tert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate

C15H25NO2 — CID 15271670

IUPACtert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C1=CCCCC1
InChIInChI=1S/C15H25NO2/c1-15(2,3)18-14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h8,13H,4-7,9-11H2,1-3H3
InChIKeyNGIRCAWDBRQYFV-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.89
Rot. Bonds1

About tert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate

tert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate (PubChem CID 15271670) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is tert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate
PubChem CID15271670
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nametert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C1=CCCCC1
InChIInChI=1S/C15H25NO2/c1-15(2,3)18-14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h8,13H,4-7,9-11H2,1-3H3
InChIKeyNGIRCAWDBRQYFV-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate 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 tert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate (CID 15271670) is tert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C1=CCCCC1.
What is the InChIKey of tert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is NGIRCAWDBRQYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,3)18-14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h8,13H,4-7,9-11H2,1-3H3.
What are the key properties of tert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 251.37 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclohexen-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 15271670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).