1-methyl-7aH-indol-1-ium

C9H10N+ — CID 155692703

IUPAC1-methyl-7aH-indol-1-ium
SMILESC[N+]1=CC=C2C=CC=CC21
InChIInChI=1S/C9H10N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7,9H,1H3/q+1
InChIKeySAHGWISVNPCOEW-UHFFFAOYSA-N
MW132.19 g/mol
LogP1.13
Rot. Bonds

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

1-methyl-7aH-indol-1-ium (PubChem CID 155692703) has the molecular formula C9H10N+ and a molecular weight of 132.19 g/mol. Its IUPAC name is 1-methyl-7aH-indol-1-ium.

Molecular Properties

Compound Name1-methyl-7aH-indol-1-ium
PubChem CID155692703
Molecular FormulaC9H10N+
Molecular Weight132.19 g/mol
Exact Mass132.08
IUPAC Name1-methyl-7aH-indol-1-ium
SMILESC[N+]1=CC=C2C=CC=CC21
InChIInChI=1S/C9H10N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7,9H,1H3/q+1
InChIKeySAHGWISVNPCOEW-UHFFFAOYSA-N
XLogP1.13
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 51.13
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
2-methyl-2H-indole
CID 58371059
Diethylideneaniline
CID 70417807
(7aR)-5-fluoro-3-methyl-7aH-indole
CID 124277104
(7aS)-5-fluoro-3-methyl-7aH-indole
CID 124277105
7aH-cyclopenta[b]pyridine
CID 16685899
9,9a-dihydro-1H-pyrido[1,2-a]indol-5-ium
CID 20312270
1,2-Dimethyl-5,7a-dihydropyrrolo[2,3-c]pyridine
CID 54026924
2,3-dimethyl-7aH-indole
CID 59099535
6-tert-butyl-8aH-indolizin-4-ium
CID 59125443
5-methyl-6H-cyclopenta[b]pyridine
CID 59944708
7-methyl-6H-cyclopenta[b]pyridine
CID 59944751

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7aH-indol-1-ium?
The IUPAC name of 1-methyl-7aH-indol-1-ium (CID 155692703) is 1-methyl-7aH-indol-1-ium.
What is the SMILES notation for 1-methyl-7aH-indol-1-ium?
The canonical SMILES for 1-methyl-7aH-indol-1-ium is C[N+]1=CC=C2C=CC=CC21.
What is the InChIKey of 1-methyl-7aH-indol-1-ium?
The InChIKey is SAHGWISVNPCOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7,9H,1H3/q+1.
What are the key properties of 1-methyl-7aH-indol-1-ium?
1-methyl-7aH-indol-1-ium has a molecular weight of 132.19 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7aH-indol-1-ium is sourced from PubChem (CID 155692703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).