ethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate

C14H23NO2 — CID 58986259

IUPACethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate
SMILESCCOC(=O)CC1CCCC=C1N1CCCC1
InChIInChI=1S/C14H23NO2/c1-2-17-14(16)11-12-7-3-4-8-13(12)15-9-5-6-10-15/h8,12H,2-7,9-11H2,1H3
InChIKeyZSSASRGUTCRHJL-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.72
Rot. Bonds4

About ethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate

ethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate (PubChem CID 58986259) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate
PubChem CID58986259
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate
SMILESCCOC(=O)CC1CCCC=C1N1CCCC1
InChIInChI=1S/C14H23NO2/c1-2-17-14(16)11-12-7-3-4-8-13(12)15-9-5-6-10-15/h8,12H,2-7,9-11H2,1H3
InChIKeyZSSASRGUTCRHJL-UHFFFAOYSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate?
The IUPAC name of ethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate (CID 58986259) is ethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate is CCOC(=O)CC1CCCC=C1N1CCCC1.
What is the InChIKey of ethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate?
The InChIKey is ZSSASRGUTCRHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-17-14(16)11-12-7-3-4-8-13(12)15-9-5-6-10-15/h8,12H,2-7,9-11H2,1H3.
What are the key properties of ethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate?
ethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate has a molecular weight of 237.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-pyrrolidin-1-ylcyclohex-2-en-1-yl)acetate is sourced from PubChem (CID 58986259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).