1-Methyl-2,3,3a,7a-tetrahydroindole

C9H13N — CID 20687664

IUPAC1-methyl-2,3,3a,7a-tetrahydroindole
SMILESCN1CCC2C1C=CC=C2
InChIInChI=1S/C9H13N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-5,8-9H,6-7H2,1H3
InChIKeyWDCVFQCRTQAURA-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.70
Rot. Bonds

About 1-Methyl-2,3,3a,7a-tetrahydroindole

1-Methyl-2,3,3a,7a-tetrahydroindole (PubChem CID 20687664) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1-methyl-2,3,3a,7a-tetrahydroindole.

Molecular Properties

Compound Name1-Methyl-2,3,3a,7a-tetrahydroindole
PubChem CID20687664
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1-methyl-2,3,3a,7a-tetrahydroindole
SMILESCN1CCC2C1C=CC=C2
InChIInChI=1S/C9H13N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-5,8-9H,6-7H2,1H3
InChIKeyWDCVFQCRTQAURA-UHFFFAOYSA-N
XLogP1.70
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity181

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-2-azabicyclo[2.2.1]hept-5-ene
CID 13875028
2,3,3a,7a-tetrahydro-1H-indole
CID 15821030
1,2,3,5,6,8a-Hexahydroindolizine
CID 17903432
N-allyl-2-azanorborn-5-ene
CID 19854919
Vinyltetrahydroindole
CID 66971852
Hexahydropyrrolo[2,1-a]isoquinoline
CID 67544556
2-Azatricyclo[6.2.1.02,7]undeca-4,6,9-triene
CID 91051298
1-Ethyltetrahydroindole
CID 129798269
7-Fluoro-1-methyl-2,3,3a,4-tetrahydroindole
CID 68342126
3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene
CID 118940548
1-butyl-2-[(1Z,4E,6E)-4-ethenyl-6-(2-fluoropropan-2-yl)-3-methylideneocta-1,4,6-trienyl]-3-methylpyrrolidine
CID 137399870
1-[(2,6-Difluorocyclohexa-1,3-dien-1-yl)methyl]-3-ethylpyrrolidine
CID 144347110

Frequently Asked Questions

What is the IUPAC name of 1-Methyl-2,3,3a,7a-tetrahydroindole?
The IUPAC name of 1-Methyl-2,3,3a,7a-tetrahydroindole (CID 20687664) is 1-methyl-2,3,3a,7a-tetrahydroindole.
What is the SMILES notation for 1-Methyl-2,3,3a,7a-tetrahydroindole?
The canonical SMILES for 1-Methyl-2,3,3a,7a-tetrahydroindole is CN1CCC2C1C=CC=C2.
What is the InChIKey of 1-Methyl-2,3,3a,7a-tetrahydroindole?
The InChIKey is WDCVFQCRTQAURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-Methyl-2,3,3a,7a-tetrahydroindole?
1-Methyl-2,3,3a,7a-tetrahydroindole has a molecular weight of 135.21 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Methyl-2,3,3a,7a-tetrahydroindole is sourced from PubChem (CID 20687664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).