1-methyl-3,5-dihydro-2H-indol-5-ide

C9H10N- — CID 58039078

IUPAC1-methyl-3,5-dihydro-2H-indol-5-ide
SMILESCN1CCc2c[c-]ccc21
InChIInChI=1S/C9H10N/c1-10-7-6-8-4-2-3-5-9(8)10/h3-5H,6-7H2,1H3/q-1
InChIKeyBRNRCEHNJPUSST-UHFFFAOYSA-N
MW132.19 g/mol
LogP1.48
Rot. Bonds

About 1-methyl-3,5-dihydro-2H-indol-5-ide

1-methyl-3,5-dihydro-2H-indol-5-ide (PubChem CID 58039078) has the molecular formula C9H10N- and a molecular weight of 132.19 g/mol. Its IUPAC name is 1-methyl-3,5-dihydro-2H-indol-5-ide.

Molecular Properties

Compound Name1-methyl-3,5-dihydro-2H-indol-5-ide
PubChem CID58039078
Molecular FormulaC9H10N-
Molecular Weight132.19 g/mol
Exact Mass132.08
IUPAC Name1-methyl-3,5-dihydro-2H-indol-5-ide
SMILESCN1CCc2c[c-]ccc21
InChIInChI=1S/C9H10N/c1-10-7-6-8-4-2-3-5-9(8)10/h3-5H,6-7H2,1H3/q-1
InChIKeyBRNRCEHNJPUSST-UHFFFAOYSA-N
XLogP1.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,2,3,5-Tetrahydroindolizine
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N-methylindeno-indole
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6-Fluoro-1-methyl-2,3,6,7-tetrahydroindole
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3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine
CID 146669125
6-ethenyl-5-(1-fluoroethenyl)-1-methyl-3,4-dihydro-2H-pyridine
CID 156800551
6-Fluoro-2-methyl-1,8a-dihydroindolizine
CID 166850488
4-Fluoro-1-methyl-2,5,6,7-tetrahydrocyclopenta[b]pyridine
CID 175893083
(6Z)-6-ethylidene-7-methyl-1,2,3,5-tetrahydropyrrolizine
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CID 85770847

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-dihydro-2H-indol-5-ide?
The IUPAC name of 1-methyl-3,5-dihydro-2H-indol-5-ide (CID 58039078) is 1-methyl-3,5-dihydro-2H-indol-5-ide.
What is the SMILES notation for 1-methyl-3,5-dihydro-2H-indol-5-ide?
The canonical SMILES for 1-methyl-3,5-dihydro-2H-indol-5-ide is CN1CCc2c[c-]ccc21.
What is the InChIKey of 1-methyl-3,5-dihydro-2H-indol-5-ide?
The InChIKey is BRNRCEHNJPUSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N/c1-10-7-6-8-4-2-3-5-9(8)10/h3-5H,6-7H2,1H3/q-1.
What are the key properties of 1-methyl-3,5-dihydro-2H-indol-5-ide?
1-methyl-3,5-dihydro-2H-indol-5-ide has a molecular weight of 132.19 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-dihydro-2H-indol-5-ide is sourced from PubChem (CID 58039078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).