ethane;3-methyl-5,6-dihydro-1H-indole

C11H17N — CID 143453668

IUPACethane;3-methyl-5,6-dihydro-1H-indole
SMILESCC.Cc1c[nH]c2c1=CCCC=2
InChIInChI=1S/C9H11N.C2H6/c1-7-6-10-9-5-3-2-4-8(7)9;1-2/h4-6,10H,2-3H2,1H3;1-2H3
InChIKeyYIZVGJUFZXBFMX-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.70
Rot. Bonds

About ethane;3-methyl-5,6-dihydro-1H-indole

ethane;3-methyl-5,6-dihydro-1H-indole (PubChem CID 143453668) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is ethane;3-methyl-5,6-dihydro-1H-indole.

Molecular Properties

Compound Nameethane;3-methyl-5,6-dihydro-1H-indole
PubChem CID143453668
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Nameethane;3-methyl-5,6-dihydro-1H-indole
SMILESCC.Cc1c[nH]c2c1=CCCC=2
InChIInChI=1S/C9H11N.C2H6/c1-7-6-10-9-5-3-2-4-8(7)9;1-2/h4-6,10H,2-3H2,1H3;1-2H3
InChIKeyYIZVGJUFZXBFMX-UHFFFAOYSA-N
XLogP1.70
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5,6-dihydro-1H-indole?
The IUPAC name of ethane;3-methyl-5,6-dihydro-1H-indole (CID 143453668) is ethane;3-methyl-5,6-dihydro-1H-indole.
What is the SMILES notation for ethane;3-methyl-5,6-dihydro-1H-indole?
The canonical SMILES for ethane;3-methyl-5,6-dihydro-1H-indole is CC.Cc1c[nH]c2c1=CCCC=2.
What is the InChIKey of ethane;3-methyl-5,6-dihydro-1H-indole?
The InChIKey is YIZVGJUFZXBFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C2H6/c1-7-6-10-9-5-3-2-4-8(7)9;1-2/h4-6,10H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-5,6-dihydro-1H-indole?
ethane;3-methyl-5,6-dihydro-1H-indole has a molecular weight of 163.26 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5,6-dihydro-1H-indole is sourced from PubChem (CID 143453668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).