(3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one

C22H18N2O2 — CID 102050008

IUPAC(3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)/C(=C2/C(=O)N(CC=C)c3ccccc32)c2ccccc21
InChIInChI=1S/C22H18N2O2/c1-3-13-23-17-11-7-5-9-15(17)19(21(23)25)20-16-10-6-8-12-18(16)24(14-4-2)22(20)26/h3-12H,1-2,13-14H2/b20-19+
InChIKeyZUYNWMXGEJIESN-FMQUCBEESA-N
MW342.40 g/mol
LogP3.66
Rot. Bonds4

About (3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one

(3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one (PubChem CID 102050008) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one.

Molecular Properties

Compound Name(3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one
PubChem CID102050008
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)/C(=C2/C(=O)N(CC=C)c3ccccc32)c2ccccc21
InChIInChI=1S/C22H18N2O2/c1-3-13-23-17-11-7-5-9-15(17)19(21(23)25)20-16-10-6-8-12-18(16)24(14-4-2)22(20)26/h3-12H,1-2,13-14H2/b20-19+
InChIKeyZUYNWMXGEJIESN-FMQUCBEESA-N
XLogP3.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxo-1-prop-2-enylindol-3-ylidene)propanedinitrile
CID 3514476
3-(4-methylphenyl)-5-(2-oxo-1-prop-2-enylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4267809
(3Z)-1-(2-chloroethyl)-3-[1-(2-chloroethyl)-2-oxoindol-3-ylidene]indol-2-one
CID 177483738
2-(2-oxo-1-prop-2-enylindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3844830
methyl N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate
CID 174077132
11-[3-(4-methylpiperazin-1-yl)propyl]-5-prop-2-enylbenzo[c][1,5]benzodiazocine-6,12-dione
CID 170859570
(3E)-3-(2-adamantylidenehydrazinylidene)-1-prop-2-enylindol-2-one
CID 9216091
3-phenyl-1-prop-2-enylquinoline-2,4-dione
CID 117066362
(3E)-1-prop-2-enyl-3-[(Z)-pyridin-2-ylmethylidenehydrazinylidene]indol-2-one
CID 9216037
(5Z)-3-[(3S)-1,1-dioxothiolan-3-yl]-5-(2-oxo-1-prop-2-enylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6889157
(3S)-2,4-dioxo-1-prop-2-enylquinoline-3-carboxylic acid
CID 835051
3-(2,5-dimethoxyphenyl)-5-(2-oxo-1-prop-2-enylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5214770

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one?
The IUPAC name of (3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one (CID 102050008) is (3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one.
What is the SMILES notation for (3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one?
The canonical SMILES for (3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one is C=CCN1C(=O)/C(=C2/C(=O)N(CC=C)c3ccccc32)c2ccccc21.
What is the InChIKey of (3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one?
The InChIKey is ZUYNWMXGEJIESN-FMQUCBEESA-N. The full InChI is InChI=1S/C22H18N2O2/c1-3-13-23-17-11-7-5-9-15(17)19(21(23)25)20-16-10-6-8-12-18(16)24(14-4-2)22(20)26/h3-12H,1-2,13-14H2/b20-19+.
What are the key properties of (3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one?
(3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one has a molecular weight of 342.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one is sourced from PubChem (CID 102050008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).