1-propan-2-yl-6-tritio-2,3-dihydroindole

C11H15N — CID 166586860

IUPAC1-propan-2-yl-6-tritio-2,3-dihydroindole
SMILES[3H]c1ccc2c(c1)N(C(C)C)CC2
InChIInChI=1S/C11H15N/c1-9(2)12-8-7-10-5-3-4-6-11(10)12/h3-6,9H,7-8H2,1-2H3/i4T
InChIKeyKCNSXRWYZKXRLP-IBTRZKOZSA-N
MW163.26 g/mol
LogP2.46
Rot. Bonds1

About 1-propan-2-yl-6-tritio-2,3-dihydroindole

1-propan-2-yl-6-tritio-2,3-dihydroindole (PubChem CID 166586860) has the molecular formula C11H15N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-propan-2-yl-6-tritio-2,3-dihydroindole.

Molecular Properties

Compound Name1-propan-2-yl-6-tritio-2,3-dihydroindole
PubChem CID166586860
Molecular FormulaC11H15N
Molecular Weight163.26 g/mol
Exact Mass163.13
IUPAC Name1-propan-2-yl-6-tritio-2,3-dihydroindole
SMILES[3H]c1ccc2c(c1)N(C(C)C)CC2
InChIInChI=1S/C11H15N/c1-9(2)12-8-7-10-5-3-4-6-11(10)12/h3-6,9H,7-8H2,1-2H3/i4T
InChIKeyKCNSXRWYZKXRLP-IBTRZKOZSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-propan-2-yl-2,3-dihydroindol-6-ol
CID 84732134
1-propan-2-yl-3,5-dihydro-2H-indol-5-ide;yttrium
CID 170523083
(1-propan-2-yl-2,3-dihydroindol-5-yl)methanol
CID 115114830
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide
CID 170221851
4-[1-(2,3-dihydroindol-1-yl)-2-methylpropyl]aniline
CID 82024554
2-(2,3-dihydroindol-1-yl)-3-methylbutanamide
CID 82040813
2-methyl-3-(1-propan-2-yl-2,3-dihydroindol-6-yl)propanoic acid
CID 115105876
1-(1-piperidin-4-ylethyl)-2,3-dihydroindole
CID 105488726
1-(1-methoxypropyl)-2,3-dihydroindole
CID 89013403
(2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol
CID 66510884
ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine
CID 158710178

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-6-tritio-2,3-dihydroindole?
The IUPAC name of 1-propan-2-yl-6-tritio-2,3-dihydroindole (CID 166586860) is 1-propan-2-yl-6-tritio-2,3-dihydroindole.
What is the SMILES notation for 1-propan-2-yl-6-tritio-2,3-dihydroindole?
The canonical SMILES for 1-propan-2-yl-6-tritio-2,3-dihydroindole is [3H]c1ccc2c(c1)N(C(C)C)CC2.
What is the InChIKey of 1-propan-2-yl-6-tritio-2,3-dihydroindole?
The InChIKey is KCNSXRWYZKXRLP-IBTRZKOZSA-N. The full InChI is InChI=1S/C11H15N/c1-9(2)12-8-7-10-5-3-4-6-11(10)12/h3-6,9H,7-8H2,1-2H3/i4T.
What are the key properties of 1-propan-2-yl-6-tritio-2,3-dihydroindole?
1-propan-2-yl-6-tritio-2,3-dihydroindole has a molecular weight of 163.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-6-tritio-2,3-dihydroindole is sourced from PubChem (CID 166586860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).