3,4-dimethyl-1H-indole;ethane

C12H17N — CID 143293593

IUPAC3,4-dimethyl-1H-indole;ethane
SMILESCC.Cc1cccc2[nH]cc(C)c12
InChIInChI=1S/C10H11N.C2H6/c1-7-4-3-5-9-10(7)8(2)6-11-9;1-2/h3-6,11H,1-2H3;1-2H3
InChIKeyGIMGNFQCVPPWSP-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.81
Rot. Bonds

About 3,4-dimethyl-1H-indole;ethane

3,4-dimethyl-1H-indole;ethane (PubChem CID 143293593) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 3,4-dimethyl-1H-indole;ethane.

Molecular Properties

Compound Name3,4-dimethyl-1H-indole;ethane
PubChem CID143293593
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name3,4-dimethyl-1H-indole;ethane
SMILESCC.Cc1cccc2[nH]cc(C)c12
InChIInChI=1S/C10H11N.C2H6/c1-7-4-3-5-9-10(7)8(2)6-11-9;1-2/h3-6,11H,1-2H3;1-2H3
InChIKeyGIMGNFQCVPPWSP-UHFFFAOYSA-N
XLogP3.81
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1H-indole;ethane?
The IUPAC name of 3,4-dimethyl-1H-indole;ethane (CID 143293593) is 3,4-dimethyl-1H-indole;ethane.
What is the SMILES notation for 3,4-dimethyl-1H-indole;ethane?
The canonical SMILES for 3,4-dimethyl-1H-indole;ethane is CC.Cc1cccc2[nH]cc(C)c12.
What is the InChIKey of 3,4-dimethyl-1H-indole;ethane?
The InChIKey is GIMGNFQCVPPWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C2H6/c1-7-4-3-5-9-10(7)8(2)6-11-9;1-2/h3-6,11H,1-2H3;1-2H3.
What are the key properties of 3,4-dimethyl-1H-indole;ethane?
3,4-dimethyl-1H-indole;ethane has a molecular weight of 175.27 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1H-indole;ethane is sourced from PubChem (CID 143293593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).