2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole

C17H17N — CID 167566058

IUPAC2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole
SMILESC=Cc1c(C)c2c(n1-c1ccccc1)C=CCC2
InChIInChI=1S/C17H17N/c1-3-16-13(2)15-11-7-8-12-17(15)18(16)14-9-5-4-6-10-14/h3-6,8-10,12H,1,7,11H2,2H3
InChIKeyYKKXFKJYMCOZHW-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.39
Rot. Bonds2

About 2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole

2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole (PubChem CID 167566058) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole.

Molecular Properties

Compound Name2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole
PubChem CID167566058
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole
SMILESC=Cc1c(C)c2c(n1-c1ccccc1)C=CCC2
InChIInChI=1S/C17H17N/c1-3-16-13(2)15-11-7-8-12-17(15)18(16)14-9-5-4-6-10-14/h3-6,8-10,12H,1,7,11H2,2H3
InChIKeyYKKXFKJYMCOZHW-UHFFFAOYSA-N
XLogP4.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 89302416
9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole
CID 143388730
6-tert-butyl-9-phenyl-3,4-dihydrocarbazole
CID 134351479
9-[10-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]anthracen-9-yl]-3,4-dihydrocarbazole
CID 89161977
N-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine
CID 143543625
ethane;2-ethenyl-3,6-dimethyl-1,6-diphenylcyclohepta[b]pyrrole
CID 142357545
6-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 144639948
2-phenyl-4,5-dihydroisoindole-1,3-diol
CID 54021150
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
11-phenyl-12-[3-[3-(12-phenyl-7,8-dihydroindolo[2,3-a]carbazol-11-yl)-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 88912475
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole?
The IUPAC name of 2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole (CID 167566058) is 2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole.
What is the SMILES notation for 2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole?
The canonical SMILES for 2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole is C=Cc1c(C)c2c(n1-c1ccccc1)C=CCC2.
What is the InChIKey of 2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole?
The InChIKey is YKKXFKJYMCOZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-3-16-13(2)15-11-7-8-12-17(15)18(16)14-9-5-4-6-10-14/h3-6,8-10,12H,1,7,11H2,2H3.
What are the key properties of 2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole?
2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole has a molecular weight of 235.33 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole is sourced from PubChem (CID 167566058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).