2-bromo-1a,6a-dihydro-1H-cyclopropa[a]inden-6-one

C10H7BrO — CID 142284629

IUPAC2-bromo-1a,6a-dihydro-1H-cyclopropa[a]inden-6-one
SMILESO=C1c2cccc(Br)c2C2CC12
InChIInChI=1S/C10H7BrO/c11-8-3-1-2-5-9(8)6-4-7(6)10(5)12/h1-3,6-7H,4H2
InChIKeyPZLKGKLADWXNKJ-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.75
Rot. Bonds

About 2-bromo-1a,6a-dihydro-1H-cyclopropa[a]inden-6-one

2-bromo-1a,6a-dihydro-1H-cyclopropa[a]inden-6-one (PubChem CID 142284629) has the molecular formula C10H7BrO and a molecular weight of 223.07 g/mol. Its IUPAC name is 2-bromo-1a,6a-dihydro-1H-cyclopropa[a]inden-6-one.

Molecular Properties

Compound Name2-bromo-1a,6a-dihydro-1H-cyclopropa[a]inden-6-one
PubChem CID142284629
Molecular FormulaC10H7BrO
Molecular Weight223.07 g/mol
Exact Mass221.97
IUPAC Name2-bromo-1a,6a-dihydro-1H-cyclopropa[a]inden-6-one
SMILESO=C1c2cccc(Br)c2C2CC12
InChIInChI=1S/C10H7BrO/c11-8-3-1-2-5-9(8)6-4-7(6)10(5)12/h1-3,6-7H,4H2
InChIKeyPZLKGKLADWXNKJ-UHFFFAOYSA-N
XLogP2.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1a,6a-dihydro-1H-cyclopropa[a]inden-6-one?
The IUPAC name of 2-bromo-1a,6a-dihydro-1H-cyclopropa[a]inden-6-one (CID 142284629) is 2-bromo-1a,6a-dihydro-1H-cyclopropa[a]inden-6-one.
What is the SMILES notation for 2-bromo-1a,6a-dihydro-1H-cyclopropa[a]inden-6-one?
The canonical SMILES for 2-bromo-1a,6a-dihydro-1H-cyclopropa[a]inden-6-one is O=C1c2cccc(Br)c2C2CC12.
What is the InChIKey of 2-bromo-1a,6a-dihydro-1H-cyclopropa[a]inden-6-one?
The InChIKey is PZLKGKLADWXNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO/c11-8-3-1-2-5-9(8)6-4-7(6)10(5)12/h1-3,6-7H,4H2.
What are the key properties of 2-bromo-1a,6a-dihydro-1H-cyclopropa[a]inden-6-one?
2-bromo-1a,6a-dihydro-1H-cyclopropa[a]inden-6-one has a molecular weight of 223.07 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1a,6a-dihydro-1H-cyclopropa[a]inden-6-one is sourced from PubChem (CID 142284629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).