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

C9H11N — CID 123229927

IUPAC5-methyl-3a,7a-dihydro-3H-indole
SMILESCC1=CC2CC=NC2C=C1
InChIInChI=1S/C9H11N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,5-6,8-9H,4H2,1H3
InChIKeyRNXNDQHOQXKQKI-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.96
Rot. Bonds

About 5-methyl-3a,7a-dihydro-3H-indole

5-methyl-3a,7a-dihydro-3H-indole (PubChem CID 123229927) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 5-methyl-3a,7a-dihydro-3H-indole.

Molecular Properties

Compound Name5-methyl-3a,7a-dihydro-3H-indole
PubChem CID123229927
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name5-methyl-3a,7a-dihydro-3H-indole
SMILESCC1=CC2CC=NC2C=C1
InChIInChI=1S/C9H11N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,5-6,8-9H,4H2,1H3
InChIKeyRNXNDQHOQXKQKI-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

3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole
CID 91299299
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CID 18187422
3a,4-dihydro-1H-isoindole
CID 54009157
3a,6-dihydro-1H-isoindole
CID 57205268
3a,7a-dihydro-3H-indole
CID 57316999
3-propan-2-yl-2H-indole
CID 57642411
5,7a-dihydro-4aH-cyclopenta[b]pyridine
CID 58270246
2-methyl-3a,7a-dihydro-3H-indole
CID 58683043
6-methyl-3,3a-dihydro-2H-indole
CID 59447031
4-Methyl-3-phenyl-2,3-dihydropyridin-2-ide;yttrium
CID 59824332
4-Methyl-4a,8a-dihydroquinoline
CID 67593927
(8aS)-4-methyl-4a,8a-dihydroquinoline
CID 67599998

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3a,7a-dihydro-3H-indole?
The IUPAC name of 5-methyl-3a,7a-dihydro-3H-indole (CID 123229927) is 5-methyl-3a,7a-dihydro-3H-indole.
What is the SMILES notation for 5-methyl-3a,7a-dihydro-3H-indole?
The canonical SMILES for 5-methyl-3a,7a-dihydro-3H-indole is CC1=CC2CC=NC2C=C1.
What is the InChIKey of 5-methyl-3a,7a-dihydro-3H-indole?
The InChIKey is RNXNDQHOQXKQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,5-6,8-9H,4H2,1H3.
What are the key properties of 5-methyl-3a,7a-dihydro-3H-indole?
5-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 5-methyl-3a,7a-dihydro-3H-indole is sourced from PubChem (CID 123229927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).