ethyl 2-(benzylamino)cyclopentene-1-carboxylate

C15H19NO2 — CID 10988554

IUPACethyl 2-(benzylamino)cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(NCc2ccccc2)CCC1
InChIInChI=1S/C15H19NO2/c1-2-18-15(17)13-9-6-10-14(13)16-11-12-7-4-3-5-8-12/h3-5,7-8,16H,2,6,9-11H2,1H3
InChIKeyBBURLTYOBWPAPQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.78
Rot. Bonds5

About ethyl 2-(benzylamino)cyclopentene-1-carboxylate

ethyl 2-(benzylamino)cyclopentene-1-carboxylate (PubChem CID 10988554) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 2-(benzylamino)cyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(benzylamino)cyclopentene-1-carboxylate
PubChem CID10988554
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Nameethyl 2-(benzylamino)cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(NCc2ccccc2)CCC1
InChIInChI=1S/C15H19NO2/c1-2-18-15(17)13-9-6-10-14(13)16-11-12-7-4-3-5-8-12/h3-5,7-8,16H,2,6,9-11H2,1H3
InChIKeyBBURLTYOBWPAPQ-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzylamino)cyclopentene-1-carboxylate?
The IUPAC name of ethyl 2-(benzylamino)cyclopentene-1-carboxylate (CID 10988554) is ethyl 2-(benzylamino)cyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 2-(benzylamino)cyclopentene-1-carboxylate?
The canonical SMILES for ethyl 2-(benzylamino)cyclopentene-1-carboxylate is CCOC(=O)C1=C(NCc2ccccc2)CCC1.
What is the InChIKey of ethyl 2-(benzylamino)cyclopentene-1-carboxylate?
The InChIKey is BBURLTYOBWPAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-18-15(17)13-9-6-10-14(13)16-11-12-7-4-3-5-8-12/h3-5,7-8,16H,2,6,9-11H2,1H3.
What are the key properties of ethyl 2-(benzylamino)cyclopentene-1-carboxylate?
ethyl 2-(benzylamino)cyclopentene-1-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzylamino)cyclopentene-1-carboxylate is sourced from PubChem (CID 10988554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).