4-methyl-3,5,6,7-tetrahydro-2H-indole

C9H13N — CID 123665372

IUPAC4-methyl-3,5,6,7-tetrahydro-2H-indole
SMILESCC1=C2CCN=C2CCC1
InChIInChI=1S/C9H13N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6H2,1H3
InChIKeyMTGJHNLXMISXCH-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.33
Rot. Bonds

About 4-methyl-3,5,6,7-tetrahydro-2H-indole

4-methyl-3,5,6,7-tetrahydro-2H-indole (PubChem CID 123665372) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4-methyl-3,5,6,7-tetrahydro-2H-indole.

Molecular Properties

Compound Name4-methyl-3,5,6,7-tetrahydro-2H-indole
PubChem CID123665372
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4-methyl-3,5,6,7-tetrahydro-2H-indole
SMILESCC1=C2CCN=C2CCC1
InChIInChI=1S/C9H13N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6H2,1H3
InChIKeyMTGJHNLXMISXCH-UHFFFAOYSA-N
XLogP2.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2,3,4,5-tetrahydropyridin-6-yl)-2,3,4,5-tetrahydropyridine
CID 19101375
1,2-dimethylcyclopentene;molecular fluorine
CID 157100565
2-methyl-4-(2,3,4,5-tetrahydropyridin-6-yl)pyridine
CID 102544229
benzene;1,2-dimethylcyclopentene;ethane
CID 164574417
(1S)-2,3-dimethylcyclohex-2-en-1-amine
CID 129374983
methyl 8-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2,3,4,5,6,7-hexahydroazocine-5-carboxylate
CID 175753812
1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene
CID 59165315
8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 12753766
N-cyclobutyl-3-(3,4-dihydro-2H-pyrrol-5-yl)pyridin-2-amine
CID 102540408
3-methyl-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine;dihydrochloride
CID 67024686
2-(2-methylcyclopenten-1-yl)quinoline
CID 70989557
2-(2-methylcyclopenten-1-yl)benzenethiol
CID 118335227

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5,6,7-tetrahydro-2H-indole?
The IUPAC name of 4-methyl-3,5,6,7-tetrahydro-2H-indole (CID 123665372) is 4-methyl-3,5,6,7-tetrahydro-2H-indole.
What is the SMILES notation for 4-methyl-3,5,6,7-tetrahydro-2H-indole?
The canonical SMILES for 4-methyl-3,5,6,7-tetrahydro-2H-indole is CC1=C2CCN=C2CCC1.
What is the InChIKey of 4-methyl-3,5,6,7-tetrahydro-2H-indole?
The InChIKey is MTGJHNLXMISXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6H2,1H3.
What are the key properties of 4-methyl-3,5,6,7-tetrahydro-2H-indole?
4-methyl-3,5,6,7-tetrahydro-2H-indole has a molecular weight of 135.21 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5,6,7-tetrahydro-2H-indole is sourced from PubChem (CID 123665372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).