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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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).