ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate

C19H23NO3 — CID 5026808

IUPACethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1
InChIInChI=1S/C19H23NO3/c1-2-23-19(21)17-9-8-16(14-15-6-4-3-5-7-15)18(17)20-10-12-22-13-11-20/h3-7,14H,2,8-13H2,1H3
InChIKeyPISXJSDMJXVJBR-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.01
Rot. Bonds4

About ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate

ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate (PubChem CID 5026808) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate
PubChem CID5026808
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nameethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1
InChIInChI=1S/C19H23NO3/c1-2-23-19(21)17-9-8-16(14-15-6-4-3-5-7-15)18(17)20-10-12-22-13-11-20/h3-7,14H,2,8-13H2,1H3
InChIKeyPISXJSDMJXVJBR-UHFFFAOYSA-N
XLogP3.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate?
The IUPAC name of ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate (CID 5026808) is ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate?
The canonical SMILES for ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate is CCOC(=O)C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1.
What is the InChIKey of ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate?
The InChIKey is PISXJSDMJXVJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-23-19(21)17-9-8-16(14-15-6-4-3-5-7-15)18(17)20-10-12-22-13-11-20/h3-7,14H,2,8-13H2,1H3.
What are the key properties of ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate?
ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzylidene-2-morpholin-4-ylcyclopentene-1-carboxylate is sourced from PubChem (CID 5026808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).