1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone

C12H14BrNO3 — CID 10614135

IUPAC1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1cc2c(c(OC)c1Br)CCN2C(C)=O
InChIInChI=1S/C12H14BrNO3/c1-7(15)14-5-4-8-9(14)6-10(16-2)11(13)12(8)17-3/h6H,4-5H2,1-3H3
InChIKeyNLPKSZYCKBACQO-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.38
Rot. Bonds2

About 1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone

1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone (PubChem CID 10614135) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone
PubChem CID10614135
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1cc2c(c(OC)c1Br)CCN2C(C)=O
InChIInChI=1S/C12H14BrNO3/c1-7(15)14-5-4-8-9(14)6-10(16-2)11(13)12(8)17-3/h6H,4-5H2,1-3H3
InChIKeyNLPKSZYCKBACQO-UHFFFAOYSA-N
XLogP2.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone
CID 82379295
1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 34258783
1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone
CID 110447754
1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 19598465
1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 82380433
1-(8-bromo-7-methoxy-6-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 21242880
2-bromo-1-(5-iodo-4-methoxy-2,3-dihydroindol-1-yl)ethanone
CID 10430838
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
N-(1-acetyl-7,8-dimethoxy-4-oxo-2,3-dihydroquinolin-5-yl)acetamide
CID 11781721
(4-amino-2,3-dihydroindol-1-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368569
1-[6-bromo-5-(difluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;1-(6-bromo-5-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 67591513
methyl 2,4-dibromo-3,5-dimethoxybenzoate
CID 165356918

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone (CID 10614135) is 1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone is COc1cc2c(c(OC)c1Br)CCN2C(C)=O.
What is the InChIKey of 1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is NLPKSZYCKBACQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-7(15)14-5-4-8-9(14)6-10(16-2)11(13)12(8)17-3/h6H,4-5H2,1-3H3.
What are the key properties of 1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone?
1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 300.15 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4,6-dimethoxy-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 10614135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).