6-methyl-3,3a-dihydro-2H-indole

C9H11N — CID 59447031

IUPAC6-methyl-3,3a-dihydro-2H-indole
SMILESCC1=CC2=NCCC2C=C1
InChIInChI=1S/C9H11N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-3,6,8H,4-5H2,1H3
InChIKeyOALSXTMXOONKKT-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.96
Rot. Bonds

About 6-methyl-3,3a-dihydro-2H-indole

6-methyl-3,3a-dihydro-2H-indole (PubChem CID 59447031) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 6-methyl-3,3a-dihydro-2H-indole.

Molecular Properties

Compound Name6-methyl-3,3a-dihydro-2H-indole
PubChem CID59447031
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name6-methyl-3,3a-dihydro-2H-indole
SMILESCC1=CC2=NCCC2C=C1
InChIInChI=1S/C9H11N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-3,6,8H,4-5H2,1H3
InChIKeyOALSXTMXOONKKT-UHFFFAOYSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
CID 6445872
CID 6445873
CID 6445873
CID 101409054
CID 101409054
Fluorotetrahydrocyclopenta[c]quinoline
CID 129814042
3-methyl-5-penta-1,3-dienyl-3,4-dihydro-2H-pyrrole
CID 162856209
Tetrahydro 3h cyclopenta[c]quinoline
CID 66841971
5-Ethenyl-4-ethylidene-2,3-dihydropyrrole
CID 90829219
3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine
CID 164669517
3-methyl-5-[(1E,3E)-penta-1,3-dienyl]-3,4-dihydro-2H-pyrrole
CID 162856210
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
7-methyl-2H-indole
CID 13640031
7-methyl-7H-indole
CID 20381758

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,3a-dihydro-2H-indole?
The IUPAC name of 6-methyl-3,3a-dihydro-2H-indole (CID 59447031) is 6-methyl-3,3a-dihydro-2H-indole.
What is the SMILES notation for 6-methyl-3,3a-dihydro-2H-indole?
The canonical SMILES for 6-methyl-3,3a-dihydro-2H-indole is CC1=CC2=NCCC2C=C1.
What is the InChIKey of 6-methyl-3,3a-dihydro-2H-indole?
The InChIKey is OALSXTMXOONKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-3,6,8H,4-5H2,1H3.
What are the key properties of 6-methyl-3,3a-dihydro-2H-indole?
6-methyl-3,3a-dihydro-2H-indole has a molecular weight of 133.19 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,3a-dihydro-2H-indole is sourced from PubChem (CID 59447031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).