2-ethenyl-5,7-dimethyl-1H-indole

C12H13N — CID 121007476

IUPAC2-ethenyl-5,7-dimethyl-1H-indole
SMILESC=Cc1cc2cc(C)cc(C)c2[nH]1
InChIInChI=1S/C12H13N/c1-4-11-7-10-6-8(2)5-9(3)12(10)13-11/h4-7,13H,1H2,2-3H3
InChIKeyLFHVYJTWZCFWDU-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.43
Rot. Bonds1

About 2-ethenyl-5,7-dimethyl-1H-indole

2-ethenyl-5,7-dimethyl-1H-indole (PubChem CID 121007476) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-ethenyl-5,7-dimethyl-1H-indole.

Molecular Properties

Compound Name2-ethenyl-5,7-dimethyl-1H-indole
PubChem CID121007476
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2-ethenyl-5,7-dimethyl-1H-indole
SMILESC=Cc1cc2cc(C)cc(C)c2[nH]1
InChIInChI=1S/C12H13N/c1-4-11-7-10-6-8(2)5-9(3)12(10)13-11/h4-7,13H,1H2,2-3H3
InChIKeyLFHVYJTWZCFWDU-UHFFFAOYSA-N
XLogP3.43
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5,7-dimethyl-1H-indole?
The IUPAC name of 2-ethenyl-5,7-dimethyl-1H-indole (CID 121007476) is 2-ethenyl-5,7-dimethyl-1H-indole.
What is the SMILES notation for 2-ethenyl-5,7-dimethyl-1H-indole?
The canonical SMILES for 2-ethenyl-5,7-dimethyl-1H-indole is C=Cc1cc2cc(C)cc(C)c2[nH]1.
What is the InChIKey of 2-ethenyl-5,7-dimethyl-1H-indole?
The InChIKey is LFHVYJTWZCFWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-4-11-7-10-6-8(2)5-9(3)12(10)13-11/h4-7,13H,1H2,2-3H3.
What are the key properties of 2-ethenyl-5,7-dimethyl-1H-indole?
2-ethenyl-5,7-dimethyl-1H-indole has a molecular weight of 171.24 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5,7-dimethyl-1H-indole is sourced from PubChem (CID 121007476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).