1,2,3a-trimethyl-4H-indole

C11H15N — CID 145142328

IUPAC1,2,3a-trimethyl-4H-indole
SMILESCC1=CC2(C)CC=CC=C2N1C
InChIInChI=1S/C11H15N/c1-9-8-11(2)7-5-4-6-10(11)12(9)3/h4-6,8H,7H2,1-3H3
InChIKeyOPNLYPQYOOHTDG-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.69
Rot. Bonds

About 1,2,3a-trimethyl-4H-indole

1,2,3a-trimethyl-4H-indole (PubChem CID 145142328) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1,2,3a-trimethyl-4H-indole.

Molecular Properties

Compound Name1,2,3a-trimethyl-4H-indole
PubChem CID145142328
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1,2,3a-trimethyl-4H-indole
SMILESCC1=CC2(C)CC=CC=C2N1C
InChIInChI=1S/C11H15N/c1-9-8-11(2)7-5-4-6-10(11)12(9)3/h4-6,8H,7H2,1-3H3
InChIKeyOPNLYPQYOOHTDG-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-Dimethyl-3a,7a-dihydroindole
CID 20647144
2,6-ditert-butyl-1-methyl-2H-pyridine
CID 53444027
1-methyl-3,5-dihydro-2H-indol-5-ide
CID 58039078
2-Tert-butyl-1-methyl-3,8a-dihydroindolizine
CID 59640670
3-ethenyl-1-methyl-6-methylidene-5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)
CID 59887101
N,N-dimethyl-7-methylidene-3,6-dihydroinden-5-amine
CID 66804653
3,3-dimethyl-2H-indolizine
CID 68125702
1,6-Dimethyl-2,3,6,7-tetrahydroindole
CID 68342268
(4R)-1,4-dimethyl-3a,4-dihydroindole
CID 70289602
1-Methyl-2,3,6,7-tetrahydroindole
CID 70346627
1,4-Dimethyl-3a,4-dihydroindole
CID 77812447
1,7-Dimethyl-2,3,6,7-tetrahydroindole
CID 88989613

Frequently Asked Questions

What is the IUPAC name of 1,2,3a-trimethyl-4H-indole?
The IUPAC name of 1,2,3a-trimethyl-4H-indole (CID 145142328) is 1,2,3a-trimethyl-4H-indole.
What is the SMILES notation for 1,2,3a-trimethyl-4H-indole?
The canonical SMILES for 1,2,3a-trimethyl-4H-indole is CC1=CC2(C)CC=CC=C2N1C.
What is the InChIKey of 1,2,3a-trimethyl-4H-indole?
The InChIKey is OPNLYPQYOOHTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9-8-11(2)7-5-4-6-10(11)12(9)3/h4-6,8H,7H2,1-3H3.
What are the key properties of 1,2,3a-trimethyl-4H-indole?
1,2,3a-trimethyl-4H-indole has a molecular weight of 161.25 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3a-trimethyl-4H-indole is sourced from PubChem (CID 145142328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).