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

C21H17N3O — CID 54348960

IUPAC3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
SMILESO=C(C=Cc1c[nH]c2ccccc12)NC=Cc1c[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)
InChIKeyUEIGNTNIVBVSQQ-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.45
Rot. Bonds4

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

3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide (PubChem CID 54348960) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
PubChem CID54348960
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
SMILESO=C(C=Cc1c[nH]c2ccccc12)NC=Cc1c[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)
InChIKeyUEIGNTNIVBVSQQ-UHFFFAOYSA-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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Related Compounds

N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 73338847
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
N-[(2-chlorophenyl)methyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 73338848
(E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide
CID 16878167
2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate
CID 163135142
N-(2-tert-butylsulfanylethyl)-3-(1H-indol-3-yl)prop-2-enamide
CID 3860366
(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)prop-2-enamide;propanoic acid
CID 174449864
(2S)-3-hydroxy-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-N-(1,2,4-triazol-4-yl)propanamide
CID 6722936
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide (CID 54348960) is 3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide is O=C(C=Cc1c[nH]c2ccccc12)NC=Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide?
The InChIKey is UEIGNTNIVBVSQQ-UHFFFAOYSA-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).
What are the key properties of 3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide?
3-(1H-indol-3-yl)-N-[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 3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide is sourced from PubChem (CID 54348960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).