3-propan-2-yl-1H-indole

C11H13N — CID 12534824

IUPAC3-propan-2-yl-1H-indole
SMILESCC(C)c1c[nH]c2ccccc12
InChIInChI=1S/C11H13N/c1-8(2)10-7-12-11-6-4-3-5-9(10)11/h3-8,12H,1-2H3
InChIKeyZFDQHODXVZRPFG-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.29
Rot. Bonds1

About 3-propan-2-yl-1H-indole

3-propan-2-yl-1H-indole (PubChem CID 12534824) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name3-propan-2-yl-1H-indole
PubChem CID12534824
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3-propan-2-yl-1H-indole
SMILESCC(C)c1c[nH]c2ccccc12
InChIInChI=1S/C11H13N/c1-8(2)10-7-12-11-6-4-3-5-9(10)11/h3-8,12H,1-2H3
InChIKeyZFDQHODXVZRPFG-UHFFFAOYSA-N
XLogP3.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
3-[(E)-5-methylhex-3-en-2-yl]-1H-indole
CID 102097534
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol
CID 10631907
(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
CID 171197987
(3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid
CID 118796912
(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
3-[chloro(methoxy)methyl]-1H-indole
CID 67187607
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1H-indole?
The IUPAC name of 3-propan-2-yl-1H-indole (CID 12534824) is 3-propan-2-yl-1H-indole.
What is the SMILES notation for 3-propan-2-yl-1H-indole?
The canonical SMILES for 3-propan-2-yl-1H-indole is CC(C)c1c[nH]c2ccccc12.
What is the InChIKey of 3-propan-2-yl-1H-indole?
The InChIKey is ZFDQHODXVZRPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8(2)10-7-12-11-6-4-3-5-9(10)11/h3-8,12H,1-2H3.
What are the key properties of 3-propan-2-yl-1H-indole?
3-propan-2-yl-1H-indole has a molecular weight of 159.23 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1H-indole is sourced from PubChem (CID 12534824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).