ethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate

C14H23NO2 — CID 10037171

IUPACethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
SMILESCCOC(=O)C1(C)CCCC=C1N1CCCC1
InChIInChI=1S/C14H23NO2/c1-3-17-13(16)14(2)9-5-4-8-12(14)15-10-6-7-11-15/h8H,3-7,9-11H2,1-2H3
InChIKeyOQXCJCJIIHUIIZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.72
Rot. Bonds3

About ethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate

ethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate (PubChem CID 10037171) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
PubChem CID10037171
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
SMILESCCOC(=O)C1(C)CCCC=C1N1CCCC1
InChIInChI=1S/C14H23NO2/c1-3-17-13(16)14(2)9-5-4-8-12(14)15-10-6-7-11-15/h8H,3-7,9-11H2,1-2H3
InChIKeyOQXCJCJIIHUIIZ-UHFFFAOYSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate?
The IUPAC name of ethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate (CID 10037171) is ethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate?
The canonical SMILES for ethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate is CCOC(=O)C1(C)CCCC=C1N1CCCC1.
What is the InChIKey of ethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate?
The InChIKey is OQXCJCJIIHUIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-17-13(16)14(2)9-5-4-8-12(14)15-10-6-7-11-15/h8H,3-7,9-11H2,1-2H3.
What are the key properties of ethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate?
ethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 10037171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).