2-chloro-1-(1,3-dihydroisoindol-2-yl)ethanone

C10H10ClNO — CID 15174912

IUPAC2-chloro-1-(1,3-dihydroisoindol-2-yl)ethanone
SMILESO=C(CCl)N1Cc2ccccc2C1
InChIInChI=1S/C10H10ClNO/c11-5-10(13)12-6-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2
InChIKeyUGCFUIGORPBLAH-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.77
Rot. Bonds1

About 2-chloro-1-(1,3-dihydroisoindol-2-yl)ethanone

2-chloro-1-(1,3-dihydroisoindol-2-yl)ethanone (PubChem CID 15174912) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-chloro-1-(1,3-dihydroisoindol-2-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(1,3-dihydroisoindol-2-yl)ethanone
PubChem CID15174912
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name2-chloro-1-(1,3-dihydroisoindol-2-yl)ethanone
SMILESO=C(CCl)N1Cc2ccccc2C1
InChIInChI=1S/C10H10ClNO/c11-5-10(13)12-6-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2
InChIKeyUGCFUIGORPBLAH-UHFFFAOYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1,3-dihydroisoindol-2-yl)ethanone?
The IUPAC name of 2-chloro-1-(1,3-dihydroisoindol-2-yl)ethanone (CID 15174912) is 2-chloro-1-(1,3-dihydroisoindol-2-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(1,3-dihydroisoindol-2-yl)ethanone?
The canonical SMILES for 2-chloro-1-(1,3-dihydroisoindol-2-yl)ethanone is O=C(CCl)N1Cc2ccccc2C1.
What is the InChIKey of 2-chloro-1-(1,3-dihydroisoindol-2-yl)ethanone?
The InChIKey is UGCFUIGORPBLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-5-10(13)12-6-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2.
What are the key properties of 2-chloro-1-(1,3-dihydroisoindol-2-yl)ethanone?
2-chloro-1-(1,3-dihydroisoindol-2-yl)ethanone has a molecular weight of 195.65 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1,3-dihydroisoindol-2-yl)ethanone is sourced from PubChem (CID 15174912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).