1-bromo-3-(cyclopropylmethyl)indole

C12H12BrN — CID 175609297

IUPAC1-bromo-3-(cyclopropylmethyl)indole
SMILESBrn1cc(CC2CC2)c2ccccc21
InChIInChI=1S/C12H12BrN/c13-14-8-10(7-9-5-6-9)11-3-1-2-4-12(11)14/h1-4,8-9H,5-7H2
InChIKeyNCVDUASRVIPEKI-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.75
Rot. Bonds2

About 1-bromo-3-(cyclopropylmethyl)indole

1-bromo-3-(cyclopropylmethyl)indole (PubChem CID 175609297) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 1-bromo-3-(cyclopropylmethyl)indole.

Molecular Properties

Compound Name1-bromo-3-(cyclopropylmethyl)indole
PubChem CID175609297
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name1-bromo-3-(cyclopropylmethyl)indole
SMILESBrn1cc(CC2CC2)c2ccccc21
InChIInChI=1S/C12H12BrN/c13-14-8-10(7-9-5-6-9)11-3-1-2-4-12(11)14/h1-4,8-9H,5-7H2
InChIKeyNCVDUASRVIPEKI-UHFFFAOYSA-N
XLogP3.75
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(cyclopropylmethyl)indole?
The IUPAC name of 1-bromo-3-(cyclopropylmethyl)indole (CID 175609297) is 1-bromo-3-(cyclopropylmethyl)indole.
What is the SMILES notation for 1-bromo-3-(cyclopropylmethyl)indole?
The canonical SMILES for 1-bromo-3-(cyclopropylmethyl)indole is Brn1cc(CC2CC2)c2ccccc21.
What is the InChIKey of 1-bromo-3-(cyclopropylmethyl)indole?
The InChIKey is NCVDUASRVIPEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c13-14-8-10(7-9-5-6-9)11-3-1-2-4-12(11)14/h1-4,8-9H,5-7H2.
What are the key properties of 1-bromo-3-(cyclopropylmethyl)indole?
1-bromo-3-(cyclopropylmethyl)indole has a molecular weight of 250.14 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(cyclopropylmethyl)indole is sourced from PubChem (CID 175609297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).