7-methyl-3a,7a-dihydro-3H-indole

C9H11N — CID 123985201

IUPAC7-methyl-3a,7a-dihydro-3H-indole
SMILESCC1=CC=CC2CC=NC12
InChIInChI=1S/C9H11N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-4,6,8-9H,5H2,1H3
InChIKeyUQKOHRAQRNSZCN-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.96
Rot. Bonds

About 7-methyl-3a,7a-dihydro-3H-indole

7-methyl-3a,7a-dihydro-3H-indole (PubChem CID 123985201) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 7-methyl-3a,7a-dihydro-3H-indole.

Molecular Properties

Compound Name7-methyl-3a,7a-dihydro-3H-indole
PubChem CID123985201
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name7-methyl-3a,7a-dihydro-3H-indole
SMILESCC1=CC=CC2CC=NC12
InChIInChI=1S/C9H11N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-4,6,8-9H,5H2,1H3
InChIKeyUQKOHRAQRNSZCN-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

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CID 12471325
3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole
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(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
2,3,3-Trimethyl-3a,7a-dihydroindole
CID 17797756
2-Cyclopentyl-2,5-dihydropyridine
CID 53805936
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
3-Ethyl-3,5,8,8a-tetrahydroquinoline
CID 53980454
3a,4-dihydro-1H-isoindole
CID 54009157
8-Azatricyclo[10.4.0.02,7]hexadeca-3,5,8,11,13,15-hexaene
CID 54068551
3,4,4a,8a-Tetrahydroquinoline
CID 54092524
4,5,5a,9a-tetrahydro-3H-1-benzazepine
CID 54378898
2,5,9,9a-tetrahydro-1H-3-benzazepine
CID 54493788

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3a,7a-dihydro-3H-indole?
The IUPAC name of 7-methyl-3a,7a-dihydro-3H-indole (CID 123985201) is 7-methyl-3a,7a-dihydro-3H-indole.
What is the SMILES notation for 7-methyl-3a,7a-dihydro-3H-indole?
The canonical SMILES for 7-methyl-3a,7a-dihydro-3H-indole is CC1=CC=CC2CC=NC12.
What is the InChIKey of 7-methyl-3a,7a-dihydro-3H-indole?
The InChIKey is UQKOHRAQRNSZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-4,6,8-9H,5H2,1H3.
What are the key properties of 7-methyl-3a,7a-dihydro-3H-indole?
7-methyl-3a,7a-dihydro-3H-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 7-methyl-3a,7a-dihydro-3H-indole is sourced from PubChem (CID 123985201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).