7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one

C11H8BrNO — CID 82382896

IUPAC7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one
SMILESO=C1Cc2[nH]c3ccc(Br)cc3c2C1
InChIInChI=1S/C11H8BrNO/c12-6-1-2-10-8(3-6)9-4-7(14)5-11(9)13-10/h1-3,13H,4-5H2
InChIKeyDACDKZPMRPISBW-UHFFFAOYSA-N
MW250.09 g/mol
LogP2.60
Rot. Bonds

About 7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one

7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one (PubChem CID 82382896) has the molecular formula C11H8BrNO and a molecular weight of 250.09 g/mol. Its IUPAC name is 7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one.

Molecular Properties

Compound Name7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one
PubChem CID82382896
Molecular FormulaC11H8BrNO
Molecular Weight250.09 g/mol
Exact Mass248.98
IUPAC Name7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one
SMILESO=C1Cc2[nH]c3ccc(Br)cc3c2C1
InChIInChI=1S/C11H8BrNO/c12-6-1-2-10-8(3-6)9-4-7(14)5-11(9)13-10/h1-3,13H,4-5H2
InChIKeyDACDKZPMRPISBW-UHFFFAOYSA-N
XLogP2.60
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide
CID 143085891
6-bromo-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
CID 905008
6-bromo-3,3-dimethyl-1,2,4,9-tetrahydropyrido[3,4-b]indole
CID 84743392
6-bromo-3-propan-2-yl-2,3,4,9-tetrahydrocarbazol-1-one
CID 137373806
2-bromo-5,6-dihydroindeno[2,1-b]indole
CID 134501422
(2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride
CID 140998240
8-(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-8-oxooctanoic acid
CID 175679371
6-bromo-3-methyl-1H-quinazoline-2,4-dione
CID 3881862
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
(2E)-6-bromo-2-(dimethylaminomethylidene)-4,9-dihydro-3H-carbazol-1-one
CID 143235079
6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 597879
6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82249314

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one?
The IUPAC name of 7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one (CID 82382896) is 7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one.
What is the SMILES notation for 7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one?
The canonical SMILES for 7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one is O=C1Cc2[nH]c3ccc(Br)cc3c2C1.
What is the InChIKey of 7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one?
The InChIKey is DACDKZPMRPISBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO/c12-6-1-2-10-8(3-6)9-4-7(14)5-11(9)13-10/h1-3,13H,4-5H2.
What are the key properties of 7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one?
7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one has a molecular weight of 250.09 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one is sourced from PubChem (CID 82382896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).