ethane;1-methyl-7aH-indol-1-ium

C11H16N+ — CID 155692702

IUPACethane;1-methyl-7aH-indol-1-ium
SMILESCC.C[N+]1=CC=C2C=CC=CC21
InChIInChI=1S/C9H10N.C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;1-2/h2-7,9H,1H3;1-2H3/q+1;
InChIKeyVNMSUQYXIOYBRI-UHFFFAOYSA-N
MW162.26 g/mol
LogP2.16
Rot. Bonds

About ethane;1-methyl-7aH-indol-1-ium

ethane;1-methyl-7aH-indol-1-ium (PubChem CID 155692702) has the molecular formula C11H16N+ and a molecular weight of 162.26 g/mol. Its IUPAC name is ethane;1-methyl-7aH-indol-1-ium.

Molecular Properties

Compound Nameethane;1-methyl-7aH-indol-1-ium
PubChem CID155692702
Molecular FormulaC11H16N+
Molecular Weight162.26 g/mol
Exact Mass162.13
IUPAC Nameethane;1-methyl-7aH-indol-1-ium
SMILESCC.C[N+]1=CC=C2C=CC=CC21
InChIInChI=1S/C9H10N.C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;1-2/h2-7,9H,1H3;1-2H3/q+1;
InChIKeyVNMSUQYXIOYBRI-UHFFFAOYSA-N
XLogP2.16
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

7aH-indole
CID 20614426
Diethylideneaniline
CID 70417807
Bis-propylideneaniline
CID 129791915
7aH-cyclopenta[b]pyridine
CID 16685899
9,9a-dihydro-1H-pyrido[1,2-a]indol-5-ium
CID 20312270
6-tert-butyl-8aH-indolizin-4-ium
CID 59125443
7-methyl-6H-cyclopenta[b]pyridine
CID 59944751
2-methyl-7aH-indole
CID 68184817
1,2,3,4-tetramethyl-2H-indol-1-ium iodide
CID 87401852
1,2,3,5-tetramethyl-2H-indol-1-ium iodide
CID 88053066
4-methyl-7aH-indole
CID 89776369
1,4-dimethyl-2H-indol-1-ium;ethane
CID 90707503

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-7aH-indol-1-ium?
The IUPAC name of ethane;1-methyl-7aH-indol-1-ium (CID 155692702) is ethane;1-methyl-7aH-indol-1-ium.
What is the SMILES notation for ethane;1-methyl-7aH-indol-1-ium?
The canonical SMILES for ethane;1-methyl-7aH-indol-1-ium is CC.C[N+]1=CC=C2C=CC=CC21.
What is the InChIKey of ethane;1-methyl-7aH-indol-1-ium?
The InChIKey is VNMSUQYXIOYBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N.C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;1-2/h2-7,9H,1H3;1-2H3/q+1;.
What are the key properties of ethane;1-methyl-7aH-indol-1-ium?
ethane;1-methyl-7aH-indol-1-ium has a molecular weight of 162.26 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-7aH-indol-1-ium is sourced from PubChem (CID 155692702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).