(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one

C24H24N2O2 — CID 102235966

IUPAC(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one
SMILESC=CC[C@]1([C@@]2(CC=C)C(=O)N(C)c3ccccc32)C(=O)N(C)c2ccccc21
InChIInChI=1S/C24H24N2O2/c1-5-15-23(17-11-7-9-13-19(17)25(3)21(23)27)24(16-6-2)18-12-8-10-14-20(18)26(4)22(24)28/h5-14H,1-2,15-16H2,3-4H3/t23-,24-/m1/s1
InChIKeyJTWJYPYHOIYESK-DNQXCXABSA-N
MW372.47 g/mol
LogP3.97
Rot. Bonds5

About (3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one

(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one (PubChem CID 102235966) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one
PubChem CID102235966
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one
SMILESC=CC[C@]1([C@@]2(CC=C)C(=O)N(C)c3ccccc32)C(=O)N(C)c2ccccc21
InChIInChI=1S/C24H24N2O2/c1-5-15-23(17-11-7-9-13-19(17)25(3)21(23)27)24(16-6-2)18-12-8-10-14-20(18)26(4)22(24)28/h5-14H,1-2,15-16H2,3-4H3/t23-,24-/m1/s1
InChIKeyJTWJYPYHOIYESK-DNQXCXABSA-N
XLogP3.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one
CID 132572568
2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide
CID 11402284
(3R)-1-methyl-3-prop-2-enyl-3-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]indol-2-one
CID 139193545
(3S)-3-(2-hydroxy-5-methylphenyl)-1-methyl-3-prop-2-enylindol-2-one
CID 139191748
2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde
CID 11183300
3-(5-tert-butyl-2-hydroxyphenyl)-1-methyl-3-prop-2-enylindol-2-one
CID 139255179
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
(3R)-1-methyl-3-phenyl-3-prop-2-enylindole-2-thione
CID 124861499
methyl N-[2-[3-[3-[2-(methoxycarbonylamino)ethyl]-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindol-3-yl]ethyl]carbamate
CID 132572136
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one?
The IUPAC name of (3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one (CID 102235966) is (3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one.
What is the SMILES notation for (3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one?
The canonical SMILES for (3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one is C=CC[C@]1([C@@]2(CC=C)C(=O)N(C)c3ccccc32)C(=O)N(C)c2ccccc21.
What is the InChIKey of (3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one?
The InChIKey is JTWJYPYHOIYESK-DNQXCXABSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-5-15-23(17-11-7-9-13-19(17)25(3)21(23)27)24(16-6-2)18-12-8-10-14-20(18)26(4)22(24)28/h5-14H,1-2,15-16H2,3-4H3/t23-,24-/m1/s1.
What are the key properties of (3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one?
(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one has a molecular weight of 372.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one is sourced from PubChem (CID 102235966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).