3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one

C15H15NO2 — CID 79672188

IUPAC3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1C1CCC(=O)CC1
InChIInChI=1S/C15H15NO2/c1-10-13-4-2-3-5-14(13)15(18)16(10)11-6-8-12(17)9-7-11/h2-5,11H,1,6-9H2
InChIKeyITFWJINPKRKDDW-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.62
Rot. Bonds1

About 3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one

3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one (PubChem CID 79672188) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one.

Molecular Properties

Compound Name3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one
PubChem CID79672188
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1C1CCC(=O)CC1
InChIInChI=1S/C15H15NO2/c1-10-13-4-2-3-5-14(13)15(18)16(10)11-6-8-12(17)9-7-11/h2-5,11H,1,6-9H2
InChIKeyITFWJINPKRKDDW-UHFFFAOYSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclodecylisoindole-1,3-dione
CID 123786237
2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one
CID 114631704
5-bromo-2-(4-oxocyclohexyl)isoindole-1,3-dione
CID 79670650
2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one
CID 142829652
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-(2-methylidenecyclohexyl)isoindole-1,3-dione
CID 86708961
4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde
CID 173386618
ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 90979720
2-cyclohexylisoindole-1,3-dione;iodozinc(1+)
CID 87664820
1-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)cyclopentane-1-carboxylic acid
CID 82762983
2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione
CID 1122069
4-(4-methyl-3-methylidene-1-oxoisoindol-2-yl)cyclohexane-1,3-dione
CID 159073499

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one?
The IUPAC name of 3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one (CID 79672188) is 3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one.
What is the SMILES notation for 3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one?
The canonical SMILES for 3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one is C=C1c2ccccc2C(=O)N1C1CCC(=O)CC1.
What is the InChIKey of 3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one?
The InChIKey is ITFWJINPKRKDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-13-4-2-3-5-14(13)15(18)16(10)11-6-8-12(17)9-7-11/h2-5,11H,1,6-9H2.
What are the key properties of 3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one?
3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one has a molecular weight of 241.29 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one is sourced from PubChem (CID 79672188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).