6-bromo-2,3-dihydroisoindol-1-one;cyclohexane

C14H18BrNO — CID 168914120

IUPAC6-bromo-2,3-dihydroisoindol-1-one;cyclohexane
SMILESC1CCCCC1.O=C1NCc2ccc(Br)cc21
InChIInChI=1S/C8H6BrNO.C6H12/c9-6-2-1-5-4-10-8(11)7(5)3-6;1-2-4-6-5-3-1/h1-3H,4H2,(H,10,11);1-6H2
InChIKeyNHFVHPPRDYUTQO-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.03
Rot. Bonds

About 6-bromo-2,3-dihydroisoindol-1-one;cyclohexane

6-bromo-2,3-dihydroisoindol-1-one;cyclohexane (PubChem CID 168914120) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 6-bromo-2,3-dihydroisoindol-1-one;cyclohexane.

Molecular Properties

Compound Name6-bromo-2,3-dihydroisoindol-1-one;cyclohexane
PubChem CID168914120
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name6-bromo-2,3-dihydroisoindol-1-one;cyclohexane
SMILESC1CCCCC1.O=C1NCc2ccc(Br)cc21
InChIInChI=1S/C8H6BrNO.C6H12/c9-6-2-1-5-4-10-8(11)7(5)3-6;1-2-4-6-5-3-1/h1-3H,4H2,(H,10,11);1-6H2
InChIKeyNHFVHPPRDYUTQO-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-2,3-dihydroisoindol-1-one;cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydroisoindol-1-one;cyclohexane?
The IUPAC name of 6-bromo-2,3-dihydroisoindol-1-one;cyclohexane (CID 168914120) is 6-bromo-2,3-dihydroisoindol-1-one;cyclohexane.
What is the SMILES notation for 6-bromo-2,3-dihydroisoindol-1-one;cyclohexane?
The canonical SMILES for 6-bromo-2,3-dihydroisoindol-1-one;cyclohexane is C1CCCCC1.O=C1NCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2,3-dihydroisoindol-1-one;cyclohexane?
The InChIKey is NHFVHPPRDYUTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO.C6H12/c9-6-2-1-5-4-10-8(11)7(5)3-6;1-2-4-6-5-3-1/h1-3H,4H2,(H,10,11);1-6H2.
What are the key properties of 6-bromo-2,3-dihydroisoindol-1-one;cyclohexane?
6-bromo-2,3-dihydroisoindol-1-one;cyclohexane has a molecular weight of 296.21 g/mol, XLogP of 4.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydroisoindol-1-one;cyclohexane is sourced from PubChem (CID 168914120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).