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

C10H9BrO — CID 134939038

IUPAC6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde
SMILESO=CC1CCc2ccc(Br)cc21
InChIInChI=1S/C10H9BrO/c11-9-4-3-7-1-2-8(6-12)10(7)5-9/h3-6,8H,1-2H2
InChIKeyMKERWXHQEVLGBE-UHFFFAOYSA-N
MW225.08 g/mol
LogP2.68
Rot. Bonds1

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

6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde (PubChem CID 134939038) has the molecular formula C10H9BrO and a molecular weight of 225.08 g/mol. Its IUPAC name is 6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde.

Molecular Properties

Compound Name6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde
PubChem CID134939038
Molecular FormulaC10H9BrO
Molecular Weight225.08 g/mol
Exact Mass223.98
IUPAC Name6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde
SMILESO=CC1CCc2ccc(Br)cc21
InChIInChI=1S/C10H9BrO/c11-9-4-3-7-1-2-8(6-12)10(7)5-9/h3-6,8H,1-2H2
InChIKeyMKERWXHQEVLGBE-UHFFFAOYSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde?
The IUPAC name of 6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde (CID 134939038) is 6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde.
What is the SMILES notation for 6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde?
The canonical SMILES for 6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde is O=CC1CCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde?
The InChIKey is MKERWXHQEVLGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO/c11-9-4-3-7-1-2-8(6-12)10(7)5-9/h3-6,8H,1-2H2.
What are the key properties of 6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde?
6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde has a molecular weight of 225.08 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydro-1H-indene-1-carbaldehyde is sourced from PubChem (CID 134939038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).