methyl 2-cyclohex-2-en-1-ylpyrrolidine-1-carboxylate

C12H19NO2 — CID 101042242

IUPACmethyl 2-cyclohex-2-en-1-ylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1C1C=CCCC1
InChIInChI=1S/C12H19NO2/c1-15-12(14)13-9-5-8-11(13)10-6-3-2-4-7-10/h3,6,10-11H,2,4-5,7-9H2,1H3
InChIKeyZLMOOFNUNFZLMO-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.57
Rot. Bonds1

About methyl 2-cyclohex-2-en-1-ylpyrrolidine-1-carboxylate

methyl 2-cyclohex-2-en-1-ylpyrrolidine-1-carboxylate (PubChem CID 101042242) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is methyl 2-cyclohex-2-en-1-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclohex-2-en-1-ylpyrrolidine-1-carboxylate
PubChem CID101042242
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namemethyl 2-cyclohex-2-en-1-ylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1C1C=CCCC1
InChIInChI=1S/C12H19NO2/c1-15-12(14)13-9-5-8-11(13)10-6-3-2-4-7-10/h3,6,10-11H,2,4-5,7-9H2,1H3
InChIKeyZLMOOFNUNFZLMO-UHFFFAOYSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohex-2-en-1-ylpyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-cyclohex-2-en-1-ylpyrrolidine-1-carboxylate (CID 101042242) is methyl 2-cyclohex-2-en-1-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-cyclohex-2-en-1-ylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-cyclohex-2-en-1-ylpyrrolidine-1-carboxylate is COC(=O)N1CCCC1C1C=CCCC1.
What is the InChIKey of methyl 2-cyclohex-2-en-1-ylpyrrolidine-1-carboxylate?
The InChIKey is ZLMOOFNUNFZLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-15-12(14)13-9-5-8-11(13)10-6-3-2-4-7-10/h3,6,10-11H,2,4-5,7-9H2,1H3.
What are the key properties of methyl 2-cyclohex-2-en-1-ylpyrrolidine-1-carboxylate?
methyl 2-cyclohex-2-en-1-ylpyrrolidine-1-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohex-2-en-1-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 101042242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).