2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate

C21H16N2O2 — CID 163135142

IUPAC2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate
SMILESO=C(C=Cc1c[nH]c2ccccc12)OC=Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H16N2O2/c24-21(10-9-15-13-22-19-7-3-1-5-17(15)19)25-12-11-16-14-23-20-8-4-2-6-18(16)20/h1-14,22-23H
InChIKeyHQVWXHZUQHEJTO-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.88
Rot. Bonds4

About 2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate

2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate (PubChem CID 163135142) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate
PubChem CID163135142
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate
SMILESO=C(C=Cc1c[nH]c2ccccc12)OC=Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H16N2O2/c24-21(10-9-15-13-22-19-7-3-1-5-17(15)19)25-12-11-16-14-23-20-8-4-2-6-18(16)20/h1-14,22-23H
InChIKeyHQVWXHZUQHEJTO-UHFFFAOYSA-N
XLogP4.88
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
(E)-3-(1H-indol-3-yl)prop-2-enethioamide
CID 119088775
(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one
CID 6249312
(E)-1-anthracen-9-yl-3-(1H-indol-3-yl)prop-2-en-1-one
CID 122220626
3-(1H-indol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3122026
3-(1H-indol-3-yl)prop-2-enamide;propanoic acid
CID 174449864
1-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
CID 85232827
2-(4-methylmorpholin-4-ium-4-yl)ethyl (E)-3-(1H-indol-3-yl)prop-2-enoate iodide
CID 6447070
N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 73338847
(E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-(1H-indol-3-yl)prop-2-en-1-one
CID 15080381
3-(2,2-dibromoethenyl)-1H-indole
CID 130532177

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate?
The IUPAC name of 2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate (CID 163135142) is 2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate.
What is the SMILES notation for 2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate?
The canonical SMILES for 2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate is O=C(C=Cc1c[nH]c2ccccc12)OC=Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate?
The InChIKey is HQVWXHZUQHEJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-21(10-9-15-13-22-19-7-3-1-5-17(15)19)25-12-11-16-14-23-20-8-4-2-6-18(16)20/h1-14,22-23H.
What are the key properties of 2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate?
2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate has a molecular weight of 328.37 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate is sourced from PubChem (CID 163135142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).