5-ethyl-4-methyl-3a,7a-dihydro-3H-indole

C11H15N — CID 123975726

IUPAC5-ethyl-4-methyl-3a,7a-dihydro-3H-indole
SMILESCCC1=C(C)C2CC=NC2C=C1
InChIInChI=1S/C11H15N/c1-3-9-4-5-11-10(8(9)2)6-7-12-11/h4-5,7,10-11H,3,6H2,1-2H3
InChIKeyVCQGBBXBZFWNGU-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.74
Rot. Bonds1

About 5-ethyl-4-methyl-3a,7a-dihydro-3H-indole

5-ethyl-4-methyl-3a,7a-dihydro-3H-indole (PubChem CID 123975726) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 5-ethyl-4-methyl-3a,7a-dihydro-3H-indole.

Molecular Properties

Compound Name5-ethyl-4-methyl-3a,7a-dihydro-3H-indole
PubChem CID123975726
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name5-ethyl-4-methyl-3a,7a-dihydro-3H-indole
SMILESCCC1=C(C)C2CC=NC2C=C1
InChIInChI=1S/C11H15N/c1-3-9-4-5-11-10(8(9)2)6-7-12-11/h4-5,7,10-11H,3,6H2,1-2H3
InChIKeyVCQGBBXBZFWNGU-UHFFFAOYSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.74
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
4-Azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene
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-ethyl-4-methyl-3a,7a-dihydro-3H-indole?
The IUPAC name of 5-ethyl-4-methyl-3a,7a-dihydro-3H-indole (CID 123975726) is 5-ethyl-4-methyl-3a,7a-dihydro-3H-indole.
What is the SMILES notation for 5-ethyl-4-methyl-3a,7a-dihydro-3H-indole?
The canonical SMILES for 5-ethyl-4-methyl-3a,7a-dihydro-3H-indole is CCC1=C(C)C2CC=NC2C=C1.
What is the InChIKey of 5-ethyl-4-methyl-3a,7a-dihydro-3H-indole?
The InChIKey is VCQGBBXBZFWNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-9-4-5-11-10(8(9)2)6-7-12-11/h4-5,7,10-11H,3,6H2,1-2H3.
What are the key properties of 5-ethyl-4-methyl-3a,7a-dihydro-3H-indole?
5-ethyl-4-methyl-3a,7a-dihydro-3H-indole has a molecular weight of 161.25 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-3a,7a-dihydro-3H-indole is sourced from PubChem (CID 123975726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).