tert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate

C15H25NO2 — CID 156839442

IUPACtert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=C2CCCCC2)C1
InChIInChI=1S/C15H25NO2/c1-15(2,3)18-14(17)16-10-9-13(11-16)12-7-5-4-6-8-12/h4-11H2,1-3H3
InChIKeyGTVRKUANOPIDLP-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.89
Rot. Bonds

About tert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate

tert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate (PubChem CID 156839442) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is tert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate
PubChem CID156839442
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nametert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=C2CCCCC2)C1
InChIInChI=1S/C15H25NO2/c1-15(2,3)18-14(17)16-10-9-13(11-16)12-7-5-4-6-8-12/h4-11H2,1-3H3
InChIKeyGTVRKUANOPIDLP-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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'}

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Related Compounds

4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
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tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate
CID 162764911
tert-butyl azacyclopentadecane-1-carboxylate
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tert-butyl (3E)-3-hydroxyiminopyrrolidine-1-carboxylate
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tert-butyl 3-hydroxyiminopyrrolidine-1-carboxylate
CID 70701179
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl 4-methylidenepiperidine-1-carboxylate
CID 2756808
tert-butyl 4-oxopiperidine-1-carboxylate;methane
CID 156835039
ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
tert-butyl 4,5-bis(ethenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
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CID 88986772
CID 88986772

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate (CID 156839442) is tert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=C2CCCCC2)C1.
What is the InChIKey of tert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate?
The InChIKey is GTVRKUANOPIDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,3)18-14(17)16-10-9-13(11-16)12-7-5-4-6-8-12/h4-11H2,1-3H3.
What are the key properties of tert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate?
tert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate has a molecular weight of 251.37 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate is sourced from PubChem (CID 156839442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).