(E)-1-[4-(furan-3-yl)phenyl]-3-(1H-indol-3-yl)prop-2-en-1-one

C21H15NO2 — CID 162646506

IUPAC(E)-1-[4-(furan-3-yl)phenyl]-3-(1H-indol-3-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1c[nH]c2ccccc12)c1ccc(-c2ccoc2)cc1
InChIInChI=1S/C21H15NO2/c23-21(10-9-17-13-22-20-4-2-1-3-19(17)20)16-7-5-15(6-8-16)18-11-12-24-14-18/h1-14,22H/b10-9+
InChIKeyGAQYXZMLCGSECM-MDZDMXLPSA-N
MW313.36 g/mol
LogP5.32
Rot. Bonds4

About (E)-1-[4-(furan-3-yl)phenyl]-3-(1H-indol-3-yl)prop-2-en-1-one

(E)-1-[4-(furan-3-yl)phenyl]-3-(1H-indol-3-yl)prop-2-en-1-one (PubChem CID 162646506) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (E)-1-[4-(furan-3-yl)phenyl]-3-(1H-indol-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(furan-3-yl)phenyl]-3-(1H-indol-3-yl)prop-2-en-1-one
PubChem CID162646506
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name(E)-1-[4-(furan-3-yl)phenyl]-3-(1H-indol-3-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1c[nH]c2ccccc12)c1ccc(-c2ccoc2)cc1
InChIInChI=1S/C21H15NO2/c23-21(10-9-17-13-22-20-4-2-1-3-19(17)20)16-7-5-15(6-8-16)18-11-12-24-14-18/h1-14,22H/b10-9+
InChIKeyGAQYXZMLCGSECM-MDZDMXLPSA-N
XLogP5.32
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.36
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(furan-3-yl)phenyl]-3-(1H-indol-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-[4-(furan-3-yl)phenyl]-3-(1H-indol-3-yl)prop-2-en-1-one (CID 162646506) is (E)-1-[4-(furan-3-yl)phenyl]-3-(1H-indol-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(furan-3-yl)phenyl]-3-(1H-indol-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(furan-3-yl)phenyl]-3-(1H-indol-3-yl)prop-2-en-1-one is O=C(/C=C/c1c[nH]c2ccccc12)c1ccc(-c2ccoc2)cc1.
What is the InChIKey of (E)-1-[4-(furan-3-yl)phenyl]-3-(1H-indol-3-yl)prop-2-en-1-one?
The InChIKey is GAQYXZMLCGSECM-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H15NO2/c23-21(10-9-17-13-22-20-4-2-1-3-19(17)20)16-7-5-15(6-8-16)18-11-12-24-14-18/h1-14,22H/b10-9+.
What are the key properties of (E)-1-[4-(furan-3-yl)phenyl]-3-(1H-indol-3-yl)prop-2-en-1-one?
(E)-1-[4-(furan-3-yl)phenyl]-3-(1H-indol-3-yl)prop-2-en-1-one has a molecular weight of 313.36 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(furan-3-yl)phenyl]-3-(1H-indol-3-yl)prop-2-en-1-one is sourced from PubChem (CID 162646506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).