5-methyl-1-(4-prop-1-en-2-ylphenyl)indole

C18H17N — CID 143656373

IUPAC5-methyl-1-(4-prop-1-en-2-ylphenyl)indole
SMILESC=C(C)c1ccc(-n2ccc3cc(C)ccc32)cc1
InChIInChI=1S/C18H17N/c1-13(2)15-5-7-17(8-6-15)19-11-10-16-12-14(3)4-9-18(16)19/h4-12H,1H2,2-3H3
InChIKeyABGJJUHNARPSFA-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.97
Rot. Bonds2

About 5-methyl-1-(4-prop-1-en-2-ylphenyl)indole

5-methyl-1-(4-prop-1-en-2-ylphenyl)indole (PubChem CID 143656373) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-methyl-1-(4-prop-1-en-2-ylphenyl)indole.

Molecular Properties

Compound Name5-methyl-1-(4-prop-1-en-2-ylphenyl)indole
PubChem CID143656373
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name5-methyl-1-(4-prop-1-en-2-ylphenyl)indole
SMILESC=C(C)c1ccc(-n2ccc3cc(C)ccc32)cc1
InChIInChI=1S/C18H17N/c1-13(2)15-5-7-17(8-6-15)19-11-10-16-12-14(3)4-9-18(16)19/h4-12H,1H2,2-3H3
InChIKeyABGJJUHNARPSFA-UHFFFAOYSA-N
XLogP4.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-methyl-1-oxidoindole
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1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
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1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
1-(3,5-dimethylphenyl)-6-methylindole
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1-[4-(4-aminobenzoyl)phenyl]indole-5-carboxamide
CID 174703366
[1-(4-fluorophenyl)indol-5-yl]-phenylmethanone
CID 134096101
1-(5-methylindol-1-yl)prop-2-en-1-one
CID 134938352
cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
CID 177043562
4-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f]indol-1-yl)benzoic acid
CID 54058308

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-prop-1-en-2-ylphenyl)indole?
The IUPAC name of 5-methyl-1-(4-prop-1-en-2-ylphenyl)indole (CID 143656373) is 5-methyl-1-(4-prop-1-en-2-ylphenyl)indole.
What is the SMILES notation for 5-methyl-1-(4-prop-1-en-2-ylphenyl)indole?
The canonical SMILES for 5-methyl-1-(4-prop-1-en-2-ylphenyl)indole is C=C(C)c1ccc(-n2ccc3cc(C)ccc32)cc1.
What is the InChIKey of 5-methyl-1-(4-prop-1-en-2-ylphenyl)indole?
The InChIKey is ABGJJUHNARPSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-13(2)15-5-7-17(8-6-15)19-11-10-16-12-14(3)4-9-18(16)19/h4-12H,1H2,2-3H3.
What are the key properties of 5-methyl-1-(4-prop-1-en-2-ylphenyl)indole?
5-methyl-1-(4-prop-1-en-2-ylphenyl)indole has a molecular weight of 247.34 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-prop-1-en-2-ylphenyl)indole is sourced from PubChem (CID 143656373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).