2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione

C14H11NO3 — CID 15022280

IUPAC2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione
SMILESC#C/C(C)=C/CON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H11NO3/c1-3-10(2)8-9-18-15-13(16)11-6-4-5-7-12(11)14(15)17/h1,4-8H,9H2,2H3/b10-8+
InChIKeyDFROOLNMZXWCHD-CSKARUKUSA-N
MW241.25 g/mol
LogP1.79
Rot. Bonds3

About 2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione

2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione (PubChem CID 15022280) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione
PubChem CID15022280
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione
SMILESC#C/C(C)=C/CON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H11NO3/c1-3-10(2)8-9-18-15-13(16)11-6-4-5-7-12(11)14(15)17/h1,4-8H,9H2,2H3/b10-8+
InChIKeyDFROOLNMZXWCHD-CSKARUKUSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-pent-2-enoxyisoindole-1,3-dione
CID 59905208
ethyl (E)-4-(1,3-dioxoisoindol-2-yl)oxybut-2-enoate
CID 131247502
2-(4-oxopentoxy)isoindole-1,3-dione
CID 46910149
2-(2-but-3-ynoxyethoxy)isoindole-1,3-dione
CID 134109741
2-(1,3-dioxoisoindol-2-yl)oxyethyl acetate;molecular hydrogen
CID 158595892
2-(2-cyclohexylideneethoxy)isoindole-1,3-dione
CID 24906032
2-[(E)-3-(4-bromophenyl)prop-2-enoxy]isoindole-1,3-dione
CID 23353082
2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane
CID 143480902
2-[(chloroamino)methoxy]isoindole-1,3-dione
CID 89136693
3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid
CID 131031670
N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide
CID 67455194
2-[(2E,4E)-5-methoxy-2-methyl-5-(methylideneamino)penta-2,4-dienoxy]isoindole-1,3-dione
CID 130193152

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione (CID 15022280) is 2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione is C#C/C(C)=C/CON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione?
The InChIKey is DFROOLNMZXWCHD-CSKARUKUSA-N. The full InChI is InChI=1S/C14H11NO3/c1-3-10(2)8-9-18-15-13(16)11-6-4-5-7-12(11)14(15)17/h1,4-8H,9H2,2H3/b10-8+.
What are the key properties of 2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione?
2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione has a molecular weight of 241.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione is sourced from PubChem (CID 15022280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).