2-(3-chloropropyl)-3H-isoindol-1-one

C11H12ClNO — CID 10727134

IUPAC2-(3-chloropropyl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1CCCCl
InChIInChI=1S/C11H12ClNO/c12-6-3-7-13-8-9-4-1-2-5-10(9)11(13)14/h1-2,4-5H,3,6-8H2
InChIKeyGDLJUDTTZWXDLM-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.27
Rot. Bonds3

About 2-(3-chloropropyl)-3H-isoindol-1-one

2-(3-chloropropyl)-3H-isoindol-1-one (PubChem CID 10727134) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-(3-chloropropyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(3-chloropropyl)-3H-isoindol-1-one
PubChem CID10727134
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-(3-chloropropyl)-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1CCCCl
InChIInChI=1S/C11H12ClNO/c12-6-3-7-13-8-9-4-1-2-5-10(9)11(13)14/h1-2,4-5H,3,6-8H2
InChIKeyGDLJUDTTZWXDLM-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Methylphthalimide
CID 11074
2-Methyl-N,N-diethylbenzamide
CID 75945
Phthalimidine
CID 10199
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
N-Ethylphthalimide
CID 21120
N-(2-Methylallyl)-phthalimide
CID 231838
3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
CID 648461
N-Cyclohexylphthalimide
CID 225739
Phthalimidoacetone
CID 235046

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-3H-isoindol-1-one?
The IUPAC name of 2-(3-chloropropyl)-3H-isoindol-1-one (CID 10727134) is 2-(3-chloropropyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(3-chloropropyl)-3H-isoindol-1-one?
The canonical SMILES for 2-(3-chloropropyl)-3H-isoindol-1-one is O=C1c2ccccc2CN1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-3H-isoindol-1-one?
The InChIKey is GDLJUDTTZWXDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-6-3-7-13-8-9-4-1-2-5-10(9)11(13)14/h1-2,4-5H,3,6-8H2.
What are the key properties of 2-(3-chloropropyl)-3H-isoindol-1-one?
2-(3-chloropropyl)-3H-isoindol-1-one has a molecular weight of 209.68 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-3H-isoindol-1-one is sourced from PubChem (CID 10727134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).