(E)-3-(7-hydroxy-1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide

C21H17N3O2 — CID 23428123

IUPAC(E)-3-(7-hydroxy-1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide
SMILESO=C(/C=C/c1c[nH]c2c(O)cccc12)N/C=C/c1c[nH]c2ccccc12
InChIInChI=1S/C21H17N3O2/c25-19-7-3-5-17-14(13-24-21(17)19)8-9-20(26)22-11-10-15-12-23-18-6-2-1-4-16(15)18/h1-13,23-25H,(H,22,26)/b9-8+,11-10+
InChIKeyNAQAXMIVPGGWLA-BNFZFUHLSA-N
MW343.39 g/mol
LogP4.16
Rot. Bonds4

About (E)-3-(7-hydroxy-1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide

(E)-3-(7-hydroxy-1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide (PubChem CID 23428123) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is (E)-3-(7-hydroxy-1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(7-hydroxy-1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide
PubChem CID23428123
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name(E)-3-(7-hydroxy-1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide
SMILESO=C(/C=C/c1c[nH]c2c(O)cccc12)N/C=C/c1c[nH]c2ccccc12
InChIInChI=1S/C21H17N3O2/c25-19-7-3-5-17-14(13-24-21(17)19)8-9-20(26)22-11-10-15-12-23-18-6-2-1-4-16(15)18/h1-13,23-25H,(H,22,26)/b9-8+,11-10+
InChIKeyNAQAXMIVPGGWLA-BNFZFUHLSA-N
XLogP4.16
TPSA80.91 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.16
H-Bond Donors ≤ 54
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)-3-(7-hydroxy-1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide?
The IUPAC name of (E)-3-(7-hydroxy-1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide (CID 23428123) is (E)-3-(7-hydroxy-1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(7-hydroxy-1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(7-hydroxy-1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide is O=C(/C=C/c1c[nH]c2c(O)cccc12)N/C=C/c1c[nH]c2ccccc12.
What is the InChIKey of (E)-3-(7-hydroxy-1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide?
The InChIKey is NAQAXMIVPGGWLA-BNFZFUHLSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-19-7-3-5-17-14(13-24-21(17)19)8-9-20(26)22-11-10-15-12-23-18-6-2-1-4-16(15)18/h1-13,23-25H,(H,22,26)/b9-8+,11-10+.
What are the key properties of (E)-3-(7-hydroxy-1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide?
(E)-3-(7-hydroxy-1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide has a molecular weight of 343.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7-hydroxy-1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide is sourced from PubChem (CID 23428123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).