(5-bromo-1-methylindol-3-yl)-cyclobutylmethanone

C14H14BrNO — CID 82278845

IUPAC(5-bromo-1-methylindol-3-yl)-cyclobutylmethanone
SMILESCn1cc(C(=O)C2CCC2)c2cc(Br)ccc21
InChIInChI=1S/C14H14BrNO/c1-16-8-12(14(17)9-3-2-4-9)11-7-10(15)5-6-13(11)16/h5-9H,2-4H2,1H3
InChIKeyWPJZHKBUQGLOKJ-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.92
Rot. Bonds2

About (5-bromo-1-methylindol-3-yl)-cyclobutylmethanone

(5-bromo-1-methylindol-3-yl)-cyclobutylmethanone (PubChem CID 82278845) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is (5-bromo-1-methylindol-3-yl)-cyclobutylmethanone.

Molecular Properties

Compound Name(5-bromo-1-methylindol-3-yl)-cyclobutylmethanone
PubChem CID82278845
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name(5-bromo-1-methylindol-3-yl)-cyclobutylmethanone
SMILESCn1cc(C(=O)C2CCC2)c2cc(Br)ccc21
InChIInChI=1S/C14H14BrNO/c1-16-8-12(14(17)9-3-2-4-9)11-7-10(15)5-6-13(11)16/h5-9H,2-4H2,1H3
InChIKeyWPJZHKBUQGLOKJ-UHFFFAOYSA-N
XLogP3.92
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-methylindol-3-yl)-cyclobutylmethanone?
The IUPAC name of (5-bromo-1-methylindol-3-yl)-cyclobutylmethanone (CID 82278845) is (5-bromo-1-methylindol-3-yl)-cyclobutylmethanone.
What is the SMILES notation for (5-bromo-1-methylindol-3-yl)-cyclobutylmethanone?
The canonical SMILES for (5-bromo-1-methylindol-3-yl)-cyclobutylmethanone is Cn1cc(C(=O)C2CCC2)c2cc(Br)ccc21.
What is the InChIKey of (5-bromo-1-methylindol-3-yl)-cyclobutylmethanone?
The InChIKey is WPJZHKBUQGLOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-16-8-12(14(17)9-3-2-4-9)11-7-10(15)5-6-13(11)16/h5-9H,2-4H2,1H3.
What are the key properties of (5-bromo-1-methylindol-3-yl)-cyclobutylmethanone?
(5-bromo-1-methylindol-3-yl)-cyclobutylmethanone has a molecular weight of 292.18 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-methylindol-3-yl)-cyclobutylmethanone is sourced from PubChem (CID 82278845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).