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

C21H17N3O — CID 6917436

IUPAC(E)-3-(1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide
SMILESO=C(/C=C/c1c[nH]c2ccccc12)N/C=C/c1c[nH]c2ccccc12
InChIInChI=1S/C21H17N3O/c25-21(10-9-15-13-23-19-7-3-1-5-17(15)19)22-12-11-16-14-24-20-8-4-2-6-18(16)20/h1-14,23-24H,(H,22,25)/b10-9+,12-11+
InChIKeyUEIGNTNIVBVSQQ-HULFFUFUSA-N
MW327.39 g/mol
LogP4.45
Rot. Bonds4

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

(E)-3-(1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide (PubChem CID 6917436) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is (E)-3-(1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide
PubChem CID6917436
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name(E)-3-(1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide
SMILESO=C(/C=C/c1c[nH]c2ccccc12)N/C=C/c1c[nH]c2ccccc12
InChIInChI=1S/C21H17N3O/c25-21(10-9-15-13-23-19-7-3-1-5-17(15)19)22-12-11-16-14-24-20-8-4-2-6-18(16)20/h1-14,23-24H,(H,22,25)/b10-9+,12-11+
InChIKeyUEIGNTNIVBVSQQ-HULFFUFUSA-N
XLogP4.45
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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-(1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide?
The IUPAC name of (E)-3-(1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide (CID 6917436) is (E)-3-(1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide is O=C(/C=C/c1c[nH]c2ccccc12)N/C=C/c1c[nH]c2ccccc12.
What is the InChIKey of (E)-3-(1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide?
The InChIKey is UEIGNTNIVBVSQQ-HULFFUFUSA-N. The full InChI is InChI=1S/C21H17N3O/c25-21(10-9-15-13-23-19-7-3-1-5-17(15)19)22-12-11-16-14-24-20-8-4-2-6-18(16)20/h1-14,23-24H,(H,22,25)/b10-9+,12-11+.
What are the key properties of (E)-3-(1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide?
(E)-3-(1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide has a molecular weight of 327.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-indol-3-yl)-N-[(E)-2-(1H-indol-3-yl)ethenyl]prop-2-enamide is sourced from PubChem (CID 6917436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).