5-ethyl-6-methyl-1H-indole;molecular hydrogen

C11H15N — CID 163372322

IUPAC5-ethyl-6-methyl-1H-indole;molecular hydrogen
SMILESCCc1cc2cc[nH]c2cc1C.[H][H]
InChIInChI=1S/C11H13N.H2/c1-3-9-7-10-4-5-12-11(10)6-8(9)2;/h4-7,12H,3H2,1-2H3;1H
InChIKeyVBFDTRQJNIFEOG-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.28
Rot. Bonds1

About 5-ethyl-6-methyl-1H-indole;molecular hydrogen

5-ethyl-6-methyl-1H-indole;molecular hydrogen (PubChem CID 163372322) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 5-ethyl-6-methyl-1H-indole;molecular hydrogen.

Molecular Properties

Compound Name5-ethyl-6-methyl-1H-indole;molecular hydrogen
PubChem CID163372322
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name5-ethyl-6-methyl-1H-indole;molecular hydrogen
SMILESCCc1cc2cc[nH]c2cc1C.[H][H]
InChIInChI=1S/C11H13N.H2/c1-3-9-7-10-4-5-12-11(10)6-8(9)2;/h4-7,12H,3H2,1-2H3;1H
InChIKeyVBFDTRQJNIFEOG-UHFFFAOYSA-N
XLogP3.28
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-1H-indole;molecular hydrogen?
The IUPAC name of 5-ethyl-6-methyl-1H-indole;molecular hydrogen (CID 163372322) is 5-ethyl-6-methyl-1H-indole;molecular hydrogen.
What is the SMILES notation for 5-ethyl-6-methyl-1H-indole;molecular hydrogen?
The canonical SMILES for 5-ethyl-6-methyl-1H-indole;molecular hydrogen is CCc1cc2cc[nH]c2cc1C.[H][H].
What is the InChIKey of 5-ethyl-6-methyl-1H-indole;molecular hydrogen?
The InChIKey is VBFDTRQJNIFEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.H2/c1-3-9-7-10-4-5-12-11(10)6-8(9)2;/h4-7,12H,3H2,1-2H3;1H.
What are the key properties of 5-ethyl-6-methyl-1H-indole;molecular hydrogen?
5-ethyl-6-methyl-1H-indole;molecular hydrogen has a molecular weight of 161.25 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-1H-indole;molecular hydrogen is sourced from PubChem (CID 163372322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).