ethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate

C24H23NO4 — CID 71559632

IUPACethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(-c2ccccc2)cn2c(/C=C/C(=O)OCC)ccc12
InChIInChI=1S/C24H23NO4/c1-3-28-23(26)14-10-19-16-20(18-8-6-5-7-9-18)17-25-21(11-13-22(19)25)12-15-24(27)29-4-2/h5-17H,3-4H2,1-2H3/b14-10+,15-12+
InChIKeyRHQSGSXWSABSOJ-VDQVFBMKSA-N
MW389.45 g/mol
LogP4.76
Rot. Bonds7

About ethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate

ethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate (PubChem CID 71559632) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is ethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate
PubChem CID71559632
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Nameethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(-c2ccccc2)cn2c(/C=C/C(=O)OCC)ccc12
InChIInChI=1S/C24H23NO4/c1-3-28-23(26)14-10-19-16-20(18-8-6-5-7-9-18)17-25-21(11-13-22(19)25)12-15-24(27)29-4-2/h5-17H,3-4H2,1-2H3/b14-10+,15-12+
InChIKeyRHQSGSXWSABSOJ-VDQVFBMKSA-N
XLogP4.76
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate
CID 22557638
ethyl (E)-3-(4-benzoyl-1-phenylpyrrol-2-yl)prop-2-enoate
CID 10871677
ethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate
CID 67461970
(E)-3-[2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enoic acid
CID 22301101
ethyl (E)-3-(5-formyl-1-methylpyrrol-2-yl)prop-2-enoate
CID 122163598
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl 3-(2-iodophenyl)prop-2-enoate
CID 74333106
ethyl (E)-3-(1-methyl-5-phenylmethoxyindol-3-yl)prop-2-enoate
CID 11450484
ethyl (E)-3-(5-formyl-1-prop-2-enylpyrrol-2-yl)prop-2-enoate
CID 132580475
ethyl (E)-3-(2,4-diphenylnaphthalen-1-yl)prop-2-enoate
CID 102265861
ethyl (E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoate
CID 86585374
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate (CID 71559632) is ethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate is CCOC(=O)/C=C/c1cc(-c2ccccc2)cn2c(/C=C/C(=O)OCC)ccc12.
What is the InChIKey of ethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate?
The InChIKey is RHQSGSXWSABSOJ-VDQVFBMKSA-N. The full InChI is InChI=1S/C24H23NO4/c1-3-28-23(26)14-10-19-16-20(18-8-6-5-7-9-18)17-25-21(11-13-22(19)25)12-15-24(27)29-4-2/h5-17H,3-4H2,1-2H3/b14-10+,15-12+.
What are the key properties of ethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate?
ethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate has a molecular weight of 389.45 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate is sourced from PubChem (CID 71559632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).