1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone

C14H14BrNO — CID 115052933

IUPAC1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone
SMILESCC(=O)c1c(C)c2ccc(Br)cc2n1C1CC1
InChIInChI=1S/C14H14BrNO/c1-8-12-6-3-10(15)7-13(12)16(11-4-5-11)14(8)9(2)17/h3,6-7,11H,4-5H2,1-2H3
InChIKeyCXZBZSIDEGWLMN-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.25
Rot. Bonds2

About 1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone

1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone (PubChem CID 115052933) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone
PubChem CID115052933
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone
SMILESCC(=O)c1c(C)c2ccc(Br)cc2n1C1CC1
InChIInChI=1S/C14H14BrNO/c1-8-12-6-3-10(15)7-13(12)16(11-4-5-11)14(8)9(2)17/h3,6-7,11H,4-5H2,1-2H3
InChIKeyCXZBZSIDEGWLMN-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,7-dibromocarbazol-9-yl)ethanone
CID 58556563
1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid
CID 115038140
6-bromo-1-cyclopropyl-3-methylindazole
CID 176566631
4-bromo-1-cyclopropyl-3-methylindole-2-carboxylic acid
CID 115053126
3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82252911
ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate
CID 79475112
1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82250430
3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-methylphenol
CID 82809543
tert-butyl N-[(6-bromo-1-cyclopropyl-2-oxoquinolin-4-yl)methyl]-N-methylcarbamate
CID 178046497
tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate
CID 156889220
6-bromo-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylic acid
CID 66608139
ditert-butyl 6-bromo-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-9,15-dicarboxylate
CID 58092199

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone?
The IUPAC name of 1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone (CID 115052933) is 1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone.
What is the SMILES notation for 1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone?
The canonical SMILES for 1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone is CC(=O)c1c(C)c2ccc(Br)cc2n1C1CC1.
What is the InChIKey of 1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone?
The InChIKey is CXZBZSIDEGWLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-8-12-6-3-10(15)7-13(12)16(11-4-5-11)14(8)9(2)17/h3,6-7,11H,4-5H2,1-2H3.
What are the key properties of 1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone?
1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone has a molecular weight of 292.18 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone is sourced from PubChem (CID 115052933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).