1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole

C24H24N2 — CID 135029119

IUPAC1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole
SMILESC=CCn1cc(C(C)c2cn(CC=C)c3ccccc23)c2ccccc21
InChIInChI=1S/C24H24N2/c1-4-14-25-16-21(19-10-6-8-12-23(19)25)18(3)22-17-26(15-5-2)24-13-9-7-11-20(22)24/h4-13,16-18H,1-2,14-15H2,3H3
InChIKeyGWHUTIDVAUIBKE-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.12
Rot. Bonds6

About 1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole

1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole (PubChem CID 135029119) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole.

Molecular Properties

Compound Name1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole
PubChem CID135029119
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole
SMILESC=CCn1cc(C(C)c2cn(CC=C)c3ccccc23)c2ccccc21
InChIInChI=1S/C24H24N2/c1-4-14-25-16-21(19-10-6-8-12-23(19)25)18(3)22-17-26(15-5-2)24-13-9-7-11-20(22)24/h4-13,16-18H,1-2,14-15H2,3H3
InChIKeyGWHUTIDVAUIBKE-UHFFFAOYSA-N
XLogP6.12
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.12
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

2-(1-prop-2-enylindol-3-yl)ethanamine
CID 10375539
2-(1-prop-2-enylindol-3-yl)ethene-1,1,2-tricarbonitrile
CID 23880072
1-prop-2-enylindole-3-sulfonyl chloride
CID 82915352
(1S)-1-(1-ethylindol-3-yl)-N-methylethanamine
CID 124705704
1-but-2-enyl-3-ethenylindole
CID 90833476
(4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone
CID 170857263
2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride
CID 14069779
(5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione
CID 930056
1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole
CID 22019299
2-tert-butyl-2-methyl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-dioxane-4,6-dione
CID 1341204
1-methyl-3-prop-2-enylbenzimidazol-1-ium bromide
CID 13211192
N-[(1-propan-2-ylindol-3-yl)methyl]prop-2-en-1-amine
CID 94074093

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole?
The IUPAC name of 1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole (CID 135029119) is 1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole.
What is the SMILES notation for 1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole?
The canonical SMILES for 1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole is C=CCn1cc(C(C)c2cn(CC=C)c3ccccc23)c2ccccc21.
What is the InChIKey of 1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole?
The InChIKey is GWHUTIDVAUIBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-4-14-25-16-21(19-10-6-8-12-23(19)25)18(3)22-17-26(15-5-2)24-13-9-7-11-20(22)24/h4-13,16-18H,1-2,14-15H2,3H3.
What are the key properties of 1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole?
1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole has a molecular weight of 340.47 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole is sourced from PubChem (CID 135029119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).