2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one

C13H13NO — CID 142829652

IUPAC2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one
SMILESC=C1c2cc(C)ccc2C(=O)N1C1CC1
InChIInChI=1S/C13H13NO/c1-8-3-6-11-12(7-8)9(2)14(13(11)15)10-4-5-10/h3,6-7,10H,2,4-5H2,1H3
InChIKeyZTSCFOGUWAZQLF-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.58
Rot. Bonds1

About 2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one

2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one (PubChem CID 142829652) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one
PubChem CID142829652
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one
SMILESC=C1c2cc(C)ccc2C(=O)N1C1CC1
InChIInChI=1S/C13H13NO/c1-8-3-6-11-12(7-8)9(2)14(13(11)15)10-4-5-10/h3,6-7,10H,2,4-5H2,1H3
InChIKeyZTSCFOGUWAZQLF-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(azepan-4-yl)-5-methylisoindole-1,3-dione
CID 107174334
3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 170055897
3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one
CID 79672188
2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione
CID 59545457
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea
CID 108873895
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
CID 144533118
CID 144533118
2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]isoindole-1,3-dione
CID 113082559
5-cyclohexyl-N-(3-fluorocyclobutyl)-8-methyl-6-methylidenepyrimido[4,5-c]isoquinolin-3-amine
CID 145439502
2-[(2-hydroxycyclohexyl)methyl]-5-methylisoindole-1,3-dione
CID 64911474
2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione
CID 61208292
5-cyclohexyl-N-(3,3-difluorocyclobutyl)-8-methyl-6-methylidenepyrimido[4,5-c]isoquinolin-3-amine
CID 145439515

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one?
The IUPAC name of 2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one (CID 142829652) is 2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one.
What is the SMILES notation for 2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one?
The canonical SMILES for 2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one is C=C1c2cc(C)ccc2C(=O)N1C1CC1.
What is the InChIKey of 2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one?
The InChIKey is ZTSCFOGUWAZQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-8-3-6-11-12(7-8)9(2)14(13(11)15)10-4-5-10/h3,6-7,10H,2,4-5H2,1H3.
What are the key properties of 2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one?
2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one has a molecular weight of 199.25 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one is sourced from PubChem (CID 142829652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).