1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone

C10H10BrNO — CID 84701796

IUPAC1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone
SMILESCC(=O)c1cc(Br)c2c(c1)CCN2
InChIInChI=1S/C10H10BrNO/c1-6(13)8-4-7-2-3-12-10(7)9(11)5-8/h4-5,12H,2-3H2,1H3
InChIKeyLFQOAAKVYBKDKF-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.62
Rot. Bonds1

About 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone

1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone (PubChem CID 84701796) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone
PubChem CID84701796
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone
SMILESCC(=O)c1cc(Br)c2c(c1)CCN2
InChIInChI=1S/C10H10BrNO/c1-6(13)8-4-7-2-3-12-10(7)9(11)5-8/h4-5,12H,2-3H2,1H3
InChIKeyLFQOAAKVYBKDKF-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-5-methyl-2,3-dihydro-1H-indole-2,3-dione
CID 611621
1-(2,3-Dihydro-1H-indol-5-yl)ethan-1-one
CID 253117
7-bromo-1,5-dimethyl-1H-indole-2,3-dione
CID 2063514
7-bromo-5-methyl-1H,2H,3H,4H,9H-cyclopenta(b)quinolin-9-one
CID 61381804
N-(3-bromobenzyl)-1-methyl-2-oxoindoline-5-carboxamide
CID 71840744
5-(2-Bromopropanoyl)-1,3-dihydro-2H-indol-2-one
CID 15142133
N-allyl-8-bromo-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
CID 45919969
1-[4-Amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanone;hydrochloride
CID 22765828
1-[4-Amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(2-methylbutan-2-ylamino)ethanone;hydrochloride
CID 22765851
4'-Amino-3'-bromo-2-isopropylamino-5'-trifluoromethyl-acetophenone hydrochloride
CID 22765886
(5-bromo-2,3-dihydro-1H-indol-7-yl)-(4-fluorophenyl)methanone
CID 69873321
4'-Amino-3'-bromo-2-tert. butylamino-5'-trifluoromethyl-acetophenone hydrochloride
CID 86736063

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone?
The IUPAC name of 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone (CID 84701796) is 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone.
What is the SMILES notation for 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone?
The canonical SMILES for 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone is CC(=O)c1cc(Br)c2c(c1)CCN2.
What is the InChIKey of 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone?
The InChIKey is LFQOAAKVYBKDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-6(13)8-4-7-2-3-12-10(7)9(11)5-8/h4-5,12H,2-3H2,1H3.
What are the key properties of 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone?
1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone has a molecular weight of 240.10 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone is sourced from PubChem (CID 84701796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).