7-chloro-2,3-dihydroisoindol-1-one

C8H6ClNO — CID 22136835

IUPAC7-chloro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cccc(Cl)c21
InChIInChI=1S/C8H6ClNO/c9-6-3-1-2-5-4-10-8(11)7(5)6/h1-3H,4H2,(H,10,11)
InChIKeyVINJECBDFXCRNA-UHFFFAOYSA-N
MW167.59 g/mol
LogP1.58
Rot. Bonds

About 7-chloro-2,3-dihydroisoindol-1-one

7-chloro-2,3-dihydroisoindol-1-one (PubChem CID 22136835) has the molecular formula C8H6ClNO and a molecular weight of 167.59 g/mol. Its IUPAC name is 7-chloro-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-chloro-2,3-dihydroisoindol-1-one
PubChem CID22136835
Molecular FormulaC8H6ClNO
Molecular Weight167.59 g/mol
Exact Mass167.01
IUPAC Name7-chloro-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cccc(Cl)c21
InChIInChI=1S/C8H6ClNO/c9-6-3-1-2-5-4-10-8(11)7(5)6/h1-3H,4H2,(H,10,11)
InChIKeyVINJECBDFXCRNA-UHFFFAOYSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-Benzyl-2-chloro-benzamide
CID 347073
2-Chloro-N-isobutylbenzamide
CID 220920
N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2097228
2,6-dichloro-N-(prop-2-en-1-yl)benzamide
CID 1769592
(R)-7-chloro-9-ethyl-1,3,4,10b-tetrahydropyrazino[2,1-a]-isoindol-6(2H)-one
CID 11483068
(+/-)-7-chloro-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 11737032
(R)-7,8-dichloro-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 11737939
(3aR,9bS)-6-Chloro-2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-one hydrochloride
CID 69055626

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-chloro-2,3-dihydroisoindol-1-one (CID 22136835) is 7-chloro-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-chloro-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-chloro-2,3-dihydroisoindol-1-one is O=C1NCc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2,3-dihydroisoindol-1-one?
The InChIKey is VINJECBDFXCRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO/c9-6-3-1-2-5-4-10-8(11)7(5)6/h1-3H,4H2,(H,10,11).
What are the key properties of 7-chloro-2,3-dihydroisoindol-1-one?
7-chloro-2,3-dihydroisoindol-1-one has a molecular weight of 167.59 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 22136835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).