5-propan-2-yl-1H-indole

C11H13N — CID 10558918

IUPAC5-propan-2-yl-1H-indole
SMILESCC(C)c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H13N/c1-8(2)9-3-4-11-10(7-9)5-6-12-11/h3-8,12H,1-2H3
InChIKeyLBVLQBYXKBTHJA-UHFFFAOYSA-N
MW159.23 g/mol
LogP3.29
Rot. Bonds1

About 5-propan-2-yl-1H-indole

5-propan-2-yl-1H-indole (PubChem CID 10558918) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5-propan-2-yl-1H-indole
PubChem CID10558918
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name5-propan-2-yl-1H-indole
SMILESCC(C)c1ccc2[nH]ccc2c1
InChIInChI=1S/C11H13N/c1-8(2)9-3-4-11-10(7-9)5-6-12-11/h3-8,12H,1-2H3
InChIKeyLBVLQBYXKBTHJA-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

5-(1-chloroethyl)-1H-indole
CID 174700849
3-methyl-5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole
CID 178169617
(1R)-1-(1H-indol-5-yl)-N-methylethanamine
CID 55276552
5-butan-2-yl-1H-indole;molecular hydrogen
CID 144711250
2-(1H-indol-5-yl)propanamide
CID 140559721
N-(1H-indol-5-yl)-7-propan-2-ylquinolin-2-amine
CID 171106526
6-propan-2-yl-2H-isoquinolin-1-one
CID 59592914
1-(1H-indol-5-yl)-2-methoxyethanamine
CID 55270804
(2R)-2-amino-2-(1H-indol-5-yl)acetonitrile
CID 131106135
(4-fluorophenyl)-(1H-indol-5-yl)methanol
CID 81444818
1H-indol-5-yl(phenyl)methanol
CID 19042833
methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate
CID 131526259

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-indole?
The IUPAC name of 5-propan-2-yl-1H-indole (CID 10558918) is 5-propan-2-yl-1H-indole.
What is the SMILES notation for 5-propan-2-yl-1H-indole?
The canonical SMILES for 5-propan-2-yl-1H-indole is CC(C)c1ccc2[nH]ccc2c1.
What is the InChIKey of 5-propan-2-yl-1H-indole?
The InChIKey is LBVLQBYXKBTHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8(2)9-3-4-11-10(7-9)5-6-12-11/h3-8,12H,1-2H3.
What are the key properties of 5-propan-2-yl-1H-indole?
5-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 5-propan-2-yl-1H-indole is sourced from PubChem (CID 10558918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).