6-bromo-1-nitroso-2,3-dihydro-1H-indene

C9H8BrNO — CID 90991723

IUPAC6-bromo-1-nitroso-2,3-dihydro-1H-indene
SMILESO=NC1CCc2ccc(Br)cc21
InChIInChI=1S/C9H8BrNO/c10-7-3-1-6-2-4-9(11-12)8(6)5-7/h1,3,5,9H,2,4H2
InChIKeyWFCBSJCQJWZWOR-UHFFFAOYSA-N
MW226.07 g/mol
LogP3.20
Rot. Bonds1

About 6-bromo-1-nitroso-2,3-dihydro-1H-indene

6-bromo-1-nitroso-2,3-dihydro-1H-indene (PubChem CID 90991723) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 6-bromo-1-nitroso-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name6-bromo-1-nitroso-2,3-dihydro-1H-indene
PubChem CID90991723
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name6-bromo-1-nitroso-2,3-dihydro-1H-indene
SMILESO=NC1CCc2ccc(Br)cc21
InChIInChI=1S/C9H8BrNO/c10-7-3-1-6-2-4-9(11-12)8(6)5-7/h1,3,5,9H,2,4H2
InChIKeyWFCBSJCQJWZWOR-UHFFFAOYSA-N
XLogP3.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-nitroso-2,3-dihydro-1H-indene?
The IUPAC name of 6-bromo-1-nitroso-2,3-dihydro-1H-indene (CID 90991723) is 6-bromo-1-nitroso-2,3-dihydro-1H-indene.
What is the SMILES notation for 6-bromo-1-nitroso-2,3-dihydro-1H-indene?
The canonical SMILES for 6-bromo-1-nitroso-2,3-dihydro-1H-indene is O=NC1CCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-nitroso-2,3-dihydro-1H-indene?
The InChIKey is WFCBSJCQJWZWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-7-3-1-6-2-4-9(11-12)8(6)5-7/h1,3,5,9H,2,4H2.
What are the key properties of 6-bromo-1-nitroso-2,3-dihydro-1H-indene?
6-bromo-1-nitroso-2,3-dihydro-1H-indene has a molecular weight of 226.07 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-nitroso-2,3-dihydro-1H-indene is sourced from PubChem (CID 90991723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).