ethyl 2-anilinocyclopentene-1-carboxylate

C14H17NO2 — CID 11379241

IUPACethyl 2-anilinocyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccccc2)CCC1
InChIInChI=1S/C14H17NO2/c1-2-17-14(16)12-9-6-10-13(12)15-11-7-4-3-5-8-11/h3-5,7-8,15H,2,6,9-10H2,1H3
InChIKeyRNDODFVKQYVWSO-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.10
Rot. Bonds4

About ethyl 2-anilinocyclopentene-1-carboxylate

ethyl 2-anilinocyclopentene-1-carboxylate (PubChem CID 11379241) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is ethyl 2-anilinocyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-anilinocyclopentene-1-carboxylate
PubChem CID11379241
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Nameethyl 2-anilinocyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccccc2)CCC1
InChIInChI=1S/C14H17NO2/c1-2-17-14(16)12-9-6-10-13(12)15-11-7-4-3-5-8-11/h3-5,7-8,15H,2,6,9-10H2,1H3
InChIKeyRNDODFVKQYVWSO-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilinocyclopentene-1-carboxylate?
The IUPAC name of ethyl 2-anilinocyclopentene-1-carboxylate (CID 11379241) is ethyl 2-anilinocyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 2-anilinocyclopentene-1-carboxylate?
The canonical SMILES for ethyl 2-anilinocyclopentene-1-carboxylate is CCOC(=O)C1=C(Nc2ccccc2)CCC1.
What is the InChIKey of ethyl 2-anilinocyclopentene-1-carboxylate?
The InChIKey is RNDODFVKQYVWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-17-14(16)12-9-6-10-13(12)15-11-7-4-3-5-8-11/h3-5,7-8,15H,2,6,9-10H2,1H3.
What are the key properties of ethyl 2-anilinocyclopentene-1-carboxylate?
ethyl 2-anilinocyclopentene-1-carboxylate has a molecular weight of 231.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilinocyclopentene-1-carboxylate is sourced from PubChem (CID 11379241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).