4-ethenyl-2-methyl-5-methylideneisoquinoline-1,3-dione

C13H11NO2 — CID 142370923

IUPAC4-ethenyl-2-methyl-5-methylideneisoquinoline-1,3-dione
SMILESC=CC1=c2c(cccc2=C)C(=O)N(C)C1=O
InChIInChI=1S/C13H11NO2/c1-4-9-11-8(2)6-5-7-10(11)13(16)14(3)12(9)15/h4-7H,1-2H2,3H3
InChIKeyUPGCVGJWJCCQMY-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.05
Rot. Bonds1

About 4-ethenyl-2-methyl-5-methylideneisoquinoline-1,3-dione

4-ethenyl-2-methyl-5-methylideneisoquinoline-1,3-dione (PubChem CID 142370923) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-ethenyl-2-methyl-5-methylideneisoquinoline-1,3-dione.

Molecular Properties

Compound Name4-ethenyl-2-methyl-5-methylideneisoquinoline-1,3-dione
PubChem CID142370923
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name4-ethenyl-2-methyl-5-methylideneisoquinoline-1,3-dione
SMILESC=CC1=c2c(cccc2=C)C(=O)N(C)C1=O
InChIInChI=1S/C13H11NO2/c1-4-9-11-8(2)6-5-7-10(11)13(16)14(3)12(9)15/h4-7H,1-2H2,3H3
InChIKeyUPGCVGJWJCCQMY-UHFFFAOYSA-N
XLogP0.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis(ethenyl)-1-methyl-5-methylidenepyrrol-2-one
CID 143303962
4,5-dimethylidenefluoren-9-one
CID 87629629
(4E)-2-methyl-4-prop-2-enylidene-5-propylisoquinoline-1,3-dione
CID 176954774
4-amino-3-ethenyl-1-methyl-5-methylidenepyrrol-2-one
CID 146758460
ethane;methanol;2-methylbenzo[de]isoquinoline-1,3-dione
CID 91221858
2-methyl-4-[2-(2-methyl-1,3-dioxoisoindol-4-yl)ethynyl]isoindole-1,3-dione
CID 90008525
2-methylisoindole-1,3-dione;pyridine
CID 174877202
ethene;5-methylthieno[2,3-c]pyrrole-4,6-dione
CID 144821069
2-methylisoindole-1,3-dione;piperidine
CID 153376535
16-methyl-5-(2-methyl-1,3-dioxobenzo[de]isoquinolin-6-yl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione
CID 58151073
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2,2-diphenylacetamide
CID 23937725
2-ethenylisoindole-1,3-dione
CID 175832384

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methyl-5-methylideneisoquinoline-1,3-dione?
The IUPAC name of 4-ethenyl-2-methyl-5-methylideneisoquinoline-1,3-dione (CID 142370923) is 4-ethenyl-2-methyl-5-methylideneisoquinoline-1,3-dione.
What is the SMILES notation for 4-ethenyl-2-methyl-5-methylideneisoquinoline-1,3-dione?
The canonical SMILES for 4-ethenyl-2-methyl-5-methylideneisoquinoline-1,3-dione is C=CC1=c2c(cccc2=C)C(=O)N(C)C1=O.
What is the InChIKey of 4-ethenyl-2-methyl-5-methylideneisoquinoline-1,3-dione?
The InChIKey is UPGCVGJWJCCQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-4-9-11-8(2)6-5-7-10(11)13(16)14(3)12(9)15/h4-7H,1-2H2,3H3.
What are the key properties of 4-ethenyl-2-methyl-5-methylideneisoquinoline-1,3-dione?
4-ethenyl-2-methyl-5-methylideneisoquinoline-1,3-dione has a molecular weight of 213.24 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methyl-5-methylideneisoquinoline-1,3-dione is sourced from PubChem (CID 142370923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).