7-chloro-2-ethyl-3H-isoindol-1-one

C10H10ClNO — CID 66806210

IUPAC7-chloro-2-ethyl-3H-isoindol-1-one
SMILESCCN1Cc2cccc(Cl)c2C1=O
InChIInChI=1S/C10H10ClNO/c1-2-12-6-7-4-3-5-8(11)9(7)10(12)13/h3-5H,2,6H2,1H3
InChIKeyWDXIIDJBNYQXDM-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.32
Rot. Bonds1

About 7-chloro-2-ethyl-3H-isoindol-1-one

7-chloro-2-ethyl-3H-isoindol-1-one (PubChem CID 66806210) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 7-chloro-2-ethyl-3H-isoindol-1-one.

Molecular Properties

Compound Name7-chloro-2-ethyl-3H-isoindol-1-one
PubChem CID66806210
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name7-chloro-2-ethyl-3H-isoindol-1-one
SMILESCCN1Cc2cccc(Cl)c2C1=O
InChIInChI=1S/C10H10ClNO/c1-2-12-6-7-4-3-5-8(11)9(7)10(12)13/h3-5H,2,6H2,1H3
InChIKeyWDXIIDJBNYQXDM-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Chloro-2,3-dihydro-1H-isoindol-1-one
CID 12496475
2-Methyl-2,3-dihydro-1H-isoindol-1-one
CID 220657
4-(1,3-Dioxoisoindolin-2-yl)butanoyl chloride
CID 594886
(+/-)-7-chloro-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 11737032
2-Acetylisoindolin-1-one
CID 12289298
Benzamide, 2-chloro-N,N-dimethyl-
CID 81012
2-Chloro-N,N-diethylbenzamide
CID 82566
2-(4-Chloro-butyl)-isoindole-1,3-dione
CID 594931
(10bR)-7-chloro-10-methyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 16115392
(10bR)-7-chloro-10-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 16115511
2-[4-[(4-Chlorophenyl)methyl-methylamino]butyl]isoindole-1,3-dione
CID 18151770
2-[5-[(3-Chlorophenyl)methyl-methylamino]pentyl]isoindole-1,3-dione;hydrochloride
CID 118729300

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-3H-isoindol-1-one?
The IUPAC name of 7-chloro-2-ethyl-3H-isoindol-1-one (CID 66806210) is 7-chloro-2-ethyl-3H-isoindol-1-one.
What is the SMILES notation for 7-chloro-2-ethyl-3H-isoindol-1-one?
The canonical SMILES for 7-chloro-2-ethyl-3H-isoindol-1-one is CCN1Cc2cccc(Cl)c2C1=O.
What is the InChIKey of 7-chloro-2-ethyl-3H-isoindol-1-one?
The InChIKey is WDXIIDJBNYQXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-2-12-6-7-4-3-5-8(11)9(7)10(12)13/h3-5H,2,6H2,1H3.
What are the key properties of 7-chloro-2-ethyl-3H-isoindol-1-one?
7-chloro-2-ethyl-3H-isoindol-1-one has a molecular weight of 195.65 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-3H-isoindol-1-one is sourced from PubChem (CID 66806210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).