3-bromo-1-cyclopropyl-4-methoxyindole

C12H12BrNO — CID 115049434

IUPAC3-bromo-1-cyclopropyl-4-methoxyindole
SMILESCOc1cccc2c1c(Br)cn2C1CC1
InChIInChI=1S/C12H12BrNO/c1-15-11-4-2-3-10-12(11)9(13)7-14(10)8-5-6-8/h2-4,7-8H,5-6H2,1H3
InChIKeyFVAPWWILOJFOLN-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.75
Rot. Bonds2

About 3-bromo-1-cyclopropyl-4-methoxyindole

3-bromo-1-cyclopropyl-4-methoxyindole (PubChem CID 115049434) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 3-bromo-1-cyclopropyl-4-methoxyindole.

Molecular Properties

Compound Name3-bromo-1-cyclopropyl-4-methoxyindole
PubChem CID115049434
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name3-bromo-1-cyclopropyl-4-methoxyindole
SMILESCOc1cccc2c1c(Br)cn2C1CC1
InChIInChI=1S/C12H12BrNO/c1-15-11-4-2-3-10-12(11)9(13)7-14(10)8-5-6-8/h2-4,7-8H,5-6H2,1H3
InChIKeyFVAPWWILOJFOLN-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

1-cyclopropyl-4-methoxy-3-methylindole
CID 91447523
2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine
CID 115037881
(4-bromo-1-cyclopropylindol-3-yl)methanamine
CID 115049318
1-cyclopropyl-3-methylindole;ethane
CID 145207186
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057
3-bromo-1-ethyl-4-methoxyindazole
CID 84729293
1,2-dibromo-3-methoxybenzene
CID 11958056
1-cyclopropyl-3-methylsulfanylindole
CID 174184058
2-bromo-1-cyclopropyl-3-methoxybenzene
CID 130114065
2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one
CID 107360355
3-butan-2-yl-4-chloro-1-cyclopropylindole
CID 123992732

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-cyclopropyl-4-methoxyindole?
The IUPAC name of 3-bromo-1-cyclopropyl-4-methoxyindole (CID 115049434) is 3-bromo-1-cyclopropyl-4-methoxyindole.
What is the SMILES notation for 3-bromo-1-cyclopropyl-4-methoxyindole?
The canonical SMILES for 3-bromo-1-cyclopropyl-4-methoxyindole is COc1cccc2c1c(Br)cn2C1CC1.
What is the InChIKey of 3-bromo-1-cyclopropyl-4-methoxyindole?
The InChIKey is FVAPWWILOJFOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-15-11-4-2-3-10-12(11)9(13)7-14(10)8-5-6-8/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 3-bromo-1-cyclopropyl-4-methoxyindole?
3-bromo-1-cyclopropyl-4-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-4-methoxyindole is sourced from PubChem (CID 115049434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).