2-pent-2-enoxyisoindole-1,3-dione

C13H13NO3 — CID 59905208

IUPAC2-pent-2-enoxyisoindole-1,3-dione
SMILESCCC=CCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H13NO3/c1-2-3-6-9-17-14-12(15)10-7-4-5-8-11(10)13(14)16/h3-8H,2,9H2,1H3
InChIKeyBPGYPASPVKHWBZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.18
Rot. Bonds4

About 2-pent-2-enoxyisoindole-1,3-dione

2-pent-2-enoxyisoindole-1,3-dione (PubChem CID 59905208) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-pent-2-enoxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-pent-2-enoxyisoindole-1,3-dione
PubChem CID59905208
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-pent-2-enoxyisoindole-1,3-dione
SMILESCCC=CCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H13NO3/c1-2-3-6-9-17-14-12(15)10-7-4-5-8-11(10)13(14)16/h3-8H,2,9H2,1H3
InChIKeyBPGYPASPVKHWBZ-UHFFFAOYSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-4-(1,3-dioxoisoindol-2-yl)oxybut-2-enoate
CID 131247502
2-[(E)-3-(4-bromophenyl)prop-2-enoxy]isoindole-1,3-dione
CID 23353082
ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione
CID 142125300
2-[(E)-3-methylpent-2-en-4-ynoxy]isoindole-1,3-dione
CID 15022280
2-(2-cyclohexylideneethoxy)isoindole-1,3-dione
CID 24906032
2-[2-(diethylamino)ethoxy]isoindole-1,3-dione
CID 15918162
3,3,7-trimethyl-1-[(E)-pent-2-enoxy]indol-2-one
CID 142655171
2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane
CID 143480902
2-[(chloroamino)methoxy]isoindole-1,3-dione
CID 89136693
2-[3-(propylamino)propoxy]isoindole-1,3-dione
CID 59259670
N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]ethanesulfonamide
CID 67455194
2-prop-1-enoxyisoindole-1,3-dione
CID 158403520

Frequently Asked Questions

What is the IUPAC name of 2-pent-2-enoxyisoindole-1,3-dione?
The IUPAC name of 2-pent-2-enoxyisoindole-1,3-dione (CID 59905208) is 2-pent-2-enoxyisoindole-1,3-dione.
What is the SMILES notation for 2-pent-2-enoxyisoindole-1,3-dione?
The canonical SMILES for 2-pent-2-enoxyisoindole-1,3-dione is CCC=CCON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-pent-2-enoxyisoindole-1,3-dione?
The InChIKey is BPGYPASPVKHWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-2-3-6-9-17-14-12(15)10-7-4-5-8-11(10)13(14)16/h3-8H,2,9H2,1H3.
What are the key properties of 2-pent-2-enoxyisoindole-1,3-dione?
2-pent-2-enoxyisoindole-1,3-dione has a molecular weight of 231.25 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-2-enoxyisoindole-1,3-dione is sourced from PubChem (CID 59905208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).