1-iodo-2-propan-2-ylindole

C11H12IN — CID 126585308

IUPAC1-iodo-2-propan-2-ylindole
SMILESCC(C)c1cc2ccccc2n1I
InChIInChI=1S/C11H12IN/c1-8(2)11-7-9-5-3-4-6-10(9)13(11)12/h3-8H,1-2H3
InChIKeyYIHFUULGFSQGPW-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.96
Rot. Bonds1

About 1-iodo-2-propan-2-ylindole

1-iodo-2-propan-2-ylindole (PubChem CID 126585308) has the molecular formula C11H12IN and a molecular weight of 285.13 g/mol. Its IUPAC name is 1-iodo-2-propan-2-ylindole.

Molecular Properties

Compound Name1-iodo-2-propan-2-ylindole
PubChem CID126585308
Molecular FormulaC11H12IN
Molecular Weight285.13 g/mol
Exact Mass285.00
IUPAC Name1-iodo-2-propan-2-ylindole
SMILESCC(C)c1cc2ccccc2n1I
InChIInChI=1S/C11H12IN/c1-8(2)11-7-9-5-3-4-6-10(9)13(11)12/h3-8H,1-2H3
InChIKeyYIHFUULGFSQGPW-UHFFFAOYSA-N
XLogP3.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-2-propan-2-ylindole
CID 68858925
2-propan-2-ylindole-1-carbaldehyde
CID 119084324
2-propan-2-yl-1-(1-pyrrolidin-1-ylethyl)indole
CID 21448689
tert-butyl 2-propan-2-ylindole-1-carboxylate
CID 71120624
benzene;ethane;bis(2-methylpropane);naphthalene
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1-[1-(2-methylpropyl)indol-2-yl]ethanamine
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2-[bis(phenylsulfanyl)methyl]-1-methylindole
CID 15175184
1-(1-hydroxyindol-2-yl)ethylurea
CID 19846317
ethane;2-methyl-3-propan-2-ylisoquinolin-1-one
CID 144871823
(2S)-1-(2-methylindol-1-yl)propan-2-ol
CID 177480957
anthracene;2-methylpropane
CID 142471530
2-amino-2-(1-methylindol-2-yl)acetic acid
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Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-propan-2-ylindole?
The IUPAC name of 1-iodo-2-propan-2-ylindole (CID 126585308) is 1-iodo-2-propan-2-ylindole.
What is the SMILES notation for 1-iodo-2-propan-2-ylindole?
The canonical SMILES for 1-iodo-2-propan-2-ylindole is CC(C)c1cc2ccccc2n1I.
What is the InChIKey of 1-iodo-2-propan-2-ylindole?
The InChIKey is YIHFUULGFSQGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN/c1-8(2)11-7-9-5-3-4-6-10(9)13(11)12/h3-8H,1-2H3.
What are the key properties of 1-iodo-2-propan-2-ylindole?
1-iodo-2-propan-2-ylindole has a molecular weight of 285.13 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-propan-2-ylindole is sourced from PubChem (CID 126585308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).