3-bromo-1-cyclopropyl-5-methoxyindole

C12H12BrNO — CID 115049436

IUPAC3-bromo-1-cyclopropyl-5-methoxyindole
SMILESCOc1ccc2c(c1)c(Br)cn2C1CC1
InChIInChI=1S/C12H12BrNO/c1-15-9-4-5-12-10(6-9)11(13)7-14(12)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyPKRSXVNJUHKKDV-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.75
Rot. Bonds2

About 3-bromo-1-cyclopropyl-5-methoxyindole

3-bromo-1-cyclopropyl-5-methoxyindole (PubChem CID 115049436) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 3-bromo-1-cyclopropyl-5-methoxyindole.

Molecular Properties

Compound Name3-bromo-1-cyclopropyl-5-methoxyindole
PubChem CID115049436
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name3-bromo-1-cyclopropyl-5-methoxyindole
SMILESCOc1ccc2c(c1)c(Br)cn2C1CC1
InChIInChI=1S/C12H12BrNO/c1-15-9-4-5-12-10(6-9)11(13)7-14(12)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyPKRSXVNJUHKKDV-UHFFFAOYSA-N
XLogP3.75
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-methoxy-1-methylindole
CID 67003649
3-bromo-1-cyclopropyl-4-methoxyindole
CID 115049434
N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine
CID 106574191
4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-N,N-dimethylcyclohexan-1-amine;formic acid;methoxymethane;propane
CID 166467583
2-bromo-N-cyclopropyl-5-methoxyaniline
CID 103439281
2-bromo-1-cyclobutyl-5-methoxybenzimidazole
CID 84812045
1-cyclobutyl-6-hydroxyindole-3-carbonitrile;1-cyclobutyl-6-methoxyindole-3-carbonitrile
CID 158263039
1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82247794
3-[(2-bromo-5-methoxyphenyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79174330
3-methoxy-9-(trifluoromethyl)carbazole
CID 153297232
3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole
CID 131009926
6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine
CID 84631436

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-cyclopropyl-5-methoxyindole?
The IUPAC name of 3-bromo-1-cyclopropyl-5-methoxyindole (CID 115049436) is 3-bromo-1-cyclopropyl-5-methoxyindole.
What is the SMILES notation for 3-bromo-1-cyclopropyl-5-methoxyindole?
The canonical SMILES for 3-bromo-1-cyclopropyl-5-methoxyindole is COc1ccc2c(c1)c(Br)cn2C1CC1.
What is the InChIKey of 3-bromo-1-cyclopropyl-5-methoxyindole?
The InChIKey is PKRSXVNJUHKKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-15-9-4-5-12-10(6-9)11(13)7-14(12)8-2-3-8/h4-8H,2-3H2,1H3.
What are the key properties of 3-bromo-1-cyclopropyl-5-methoxyindole?
3-bromo-1-cyclopropyl-5-methoxyindole has a molecular weight of 266.14 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-cyclopropyl-5-methoxyindole is sourced from PubChem (CID 115049436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).