ethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate

C15H23NO2 — CID 11776839

IUPACethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate
SMILESC=CCC1(C(=O)OCC)CCC=C1N1CCCC1
InChIInChI=1S/C15H23NO2/c1-3-9-15(14(17)18-4-2)10-7-8-13(15)16-11-5-6-12-16/h3,8H,1,4-7,9-12H2,2H3
InChIKeyDTJLSBGKCONQCX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.89
Rot. Bonds5

About ethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate

ethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate (PubChem CID 11776839) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate
PubChem CID11776839
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate
SMILESC=CCC1(C(=O)OCC)CCC=C1N1CCCC1
InChIInChI=1S/C15H23NO2/c1-3-9-15(14(17)18-4-2)10-7-8-13(15)16-11-5-6-12-16/h3,8H,1,4-7,9-12H2,2H3
InChIKeyDTJLSBGKCONQCX-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate?
The IUPAC name of ethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate (CID 11776839) is ethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for ethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate is C=CCC1(C(=O)OCC)CCC=C1N1CCCC1.
What is the InChIKey of ethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate?
The InChIKey is DTJLSBGKCONQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-9-15(14(17)18-4-2)10-7-8-13(15)16-11-5-6-12-16/h3,8H,1,4-7,9-12H2,2H3.
What are the key properties of ethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate?
ethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate has a molecular weight of 249.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 11776839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).