1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole

C17H17N — CID 142928655

IUPAC1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole
SMILESCC1C=CC=C(c2cn(C)c3ccccc23)C=C1
InChIInChI=1S/C17H17N/c1-13-6-5-7-14(11-10-13)16-12-18(2)17-9-4-3-8-15(16)17/h3-13H,1-2H3
InChIKeyUWYKAUSSPDMCFP-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.32
Rot. Bonds1

About 1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole

1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole (PubChem CID 142928655) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole.

Molecular Properties

Compound Name1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole
PubChem CID142928655
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole
SMILESCC1C=CC=C(c2cn(C)c3ccccc23)C=C1
InChIInChI=1S/C17H17N/c1-13-6-5-7-14(11-10-13)16-12-18(2)17-9-4-3-8-15(16)17/h3-13H,1-2H3
InChIKeyUWYKAUSSPDMCFP-UHFFFAOYSA-N
XLogP4.32
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole?
The IUPAC name of 1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole (CID 142928655) is 1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole.
What is the SMILES notation for 1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole?
The canonical SMILES for 1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole is CC1C=CC=C(c2cn(C)c3ccccc23)C=C1.
What is the InChIKey of 1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole?
The InChIKey is UWYKAUSSPDMCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-13-6-5-7-14(11-10-13)16-12-18(2)17-9-4-3-8-15(16)17/h3-13H,1-2H3.
What are the key properties of 1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole?
1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole has a molecular weight of 235.33 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole is sourced from PubChem (CID 142928655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).