[1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone

C11H5BrO2 — CID 141144433

IUPAC[1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone
SMILESO=C=C1C(=C=O)C(Br)c2ccccc21
InChIInChI=1S/C11H5BrO2/c12-11-8-4-2-1-3-7(8)9(5-13)10(11)6-14/h1-4,11H
InChIKeyQNASWTSLXOQFCU-UHFFFAOYSA-N
MW249.06 g/mol
LogP2.11
Rot. Bonds

About [1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone

[1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone (PubChem CID 141144433) has the molecular formula C11H5BrO2 and a molecular weight of 249.06 g/mol. Its IUPAC name is [1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone.

Molecular Properties

Compound Name[1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone
PubChem CID141144433
Molecular FormulaC11H5BrO2
Molecular Weight249.06 g/mol
Exact Mass247.95
IUPAC Name[1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone
SMILESO=C=C1C(=C=O)C(Br)c2ccccc21
InChIInChI=1S/C11H5BrO2/c12-11-8-4-2-1-3-7(8)9(5-13)10(11)6-14/h1-4,11H
InChIKeyQNASWTSLXOQFCU-UHFFFAOYSA-N
XLogP2.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.06
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

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CID 132512258
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CID 11135759
10H-anthracen-10-ylium-9-ylidenemethanone
CID 100955933
3-bromospiro[3H-indene-2,1'-cyclopropane]-1-one
CID 175769647
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CID 162400233
8-oxatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 87081194
3-bromo-2,3-dihydroinden-1-one
CID 11745912
8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14617627
methyl 4-bromo-1-oxo-4H-isoquinoline-3-carboxylate
CID 76818303
1-(oxomethylidene)-2H-naphthalene-2-carboxylic acid
CID 88608545
1-(9-bromo-9H-fluoren-2-yl)ethanone
CID 15475040
[4-bromo-5,6-bis(oxomethylidene)-2-[oxomethylidene(diphenyl)-λ5-arsanyl]cyclohex-3-en-1-ylidene]methanone;manganese
CID 71354205

Frequently Asked Questions

What is the IUPAC name of [1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone?
The IUPAC name of [1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone (CID 141144433) is [1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone.
What is the SMILES notation for [1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone?
The canonical SMILES for [1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone is O=C=C1C(=C=O)C(Br)c2ccccc21.
What is the InChIKey of [1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone?
The InChIKey is QNASWTSLXOQFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrO2/c12-11-8-4-2-1-3-7(8)9(5-13)10(11)6-14/h1-4,11H.
What are the key properties of [1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone?
[1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone has a molecular weight of 249.06 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone is sourced from PubChem (CID 141144433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).