4-propyl-3a,7a-dihydro-3H-indole

C11H15N — CID 123854475

IUPAC4-propyl-3a,7a-dihydro-3H-indole
SMILESCCCC1=CC=CC2N=CCC12
InChIInChI=1S/C11H15N/c1-2-4-9-5-3-6-11-10(9)7-8-12-11/h3,5-6,8,10-11H,2,4,7H2,1H3
InChIKeyBXMJFZKKZBASTL-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.74
Rot. Bonds2

About 4-propyl-3a,7a-dihydro-3H-indole

4-propyl-3a,7a-dihydro-3H-indole (PubChem CID 123854475) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 4-propyl-3a,7a-dihydro-3H-indole.

Molecular Properties

Compound Name4-propyl-3a,7a-dihydro-3H-indole
PubChem CID123854475
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name4-propyl-3a,7a-dihydro-3H-indole
SMILESCCCC1=CC=CC2N=CCC12
InChIInChI=1S/C11H15N/c1-2-4-9-5-3-6-11-10(9)7-8-12-11/h3,5-6,8,10-11H,2,4,7H2,1H3
InChIKeyBXMJFZKKZBASTL-UHFFFAOYSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

2-Azabicyclo[3.2.1]octa-2,6-diene
CID 12471325
3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole
CID 91299299
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
2-methyl-3,3a,4,5-tetrahydro-2H-indole
CID 53955660
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
(8aS)-3,4,4a,8a-tetrahydroquinoline
CID 56628707

Frequently Asked Questions

What is the IUPAC name of 4-propyl-3a,7a-dihydro-3H-indole?
The IUPAC name of 4-propyl-3a,7a-dihydro-3H-indole (CID 123854475) is 4-propyl-3a,7a-dihydro-3H-indole.
What is the SMILES notation for 4-propyl-3a,7a-dihydro-3H-indole?
The canonical SMILES for 4-propyl-3a,7a-dihydro-3H-indole is CCCC1=CC=CC2N=CCC12.
What is the InChIKey of 4-propyl-3a,7a-dihydro-3H-indole?
The InChIKey is BXMJFZKKZBASTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-4-9-5-3-6-11-10(9)7-8-12-11/h3,5-6,8,10-11H,2,4,7H2,1H3.
What are the key properties of 4-propyl-3a,7a-dihydro-3H-indole?
4-propyl-3a,7a-dihydro-3H-indole has a molecular weight of 161.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-3a,7a-dihydro-3H-indole is sourced from PubChem (CID 123854475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).