ethyl 4-morpholin-4-yl-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate

C19H23NO4 — CID 2848546

IUPACethyl 4-morpholin-4-yl-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1C(=O)C=C(N2CCOCC2)CC1c1ccccc1
InChIInChI=1S/C19H23NO4/c1-2-24-19(22)18-16(14-6-4-3-5-7-14)12-15(13-17(18)21)20-8-10-23-11-9-20/h3-7,13,16,18H,2,8-12H2,1H3
InChIKeyGNBGVXYUAWIXRL-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.14
Rot. Bonds4

About ethyl 4-morpholin-4-yl-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate

ethyl 4-morpholin-4-yl-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate (PubChem CID 2848546) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 4-morpholin-4-yl-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-morpholin-4-yl-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
PubChem CID2848546
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameethyl 4-morpholin-4-yl-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1C(=O)C=C(N2CCOCC2)CC1c1ccccc1
InChIInChI=1S/C19H23NO4/c1-2-24-19(22)18-16(14-6-4-3-5-7-14)12-15(13-17(18)21)20-8-10-23-11-9-20/h3-7,13,16,18H,2,8-12H2,1H3
InChIKeyGNBGVXYUAWIXRL-UHFFFAOYSA-N
XLogP2.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-morpholin-4-yl-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl 4-morpholin-4-yl-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate (CID 2848546) is ethyl 4-morpholin-4-yl-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 4-morpholin-4-yl-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl 4-morpholin-4-yl-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate is CCOC(=O)C1C(=O)C=C(N2CCOCC2)CC1c1ccccc1.
What is the InChIKey of ethyl 4-morpholin-4-yl-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate?
The InChIKey is GNBGVXYUAWIXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-2-24-19(22)18-16(14-6-4-3-5-7-14)12-15(13-17(18)21)20-8-10-23-11-9-20/h3-7,13,16,18H,2,8-12H2,1H3.
What are the key properties of ethyl 4-morpholin-4-yl-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate?
ethyl 4-morpholin-4-yl-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-morpholin-4-yl-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 2848546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).