2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione

C14H15NO2 — CID 100993985

IUPAC2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione
SMILESCC/C=C(\CC)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H15NO2/c1-3-7-10(4-2)15-13(16)11-8-5-6-9-12(11)14(15)17/h5-9H,3-4H2,1-2H3/b10-7+
InChIKeyDAACKNCWWFPYGM-JXMROGBWSA-N
MW229.28 g/mol
LogP2.99
Rot. Bonds3

About 2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione

2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione (PubChem CID 100993985) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione
PubChem CID100993985
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione
SMILESCC/C=C(\CC)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H15NO2/c1-3-7-10(4-2)15-13(16)11-8-5-6-9-12(11)14(15)17/h5-9H,3-4H2,1-2H3/b10-7+
InChIKeyDAACKNCWWFPYGM-JXMROGBWSA-N
XLogP2.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.99
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

2-hydroxyisoindole-1,3-dione;propane
CID 143899638
2-(1-phenylprop-1-en-2-yl)isoindole-1,3-dione
CID 54502671
ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione
CID 142125300
ethyl (Z)-2-(1,3-dioxoisoindol-2-yl)but-2-enoate
CID 102164376
2-diethylphosphanylisoindole-1,3-dione
CID 23341095
2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene
CID 143563260
2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione
CID 134831051
2-(4-bromo-1,3-dioxoisoindol-2-yl)pent-2-enoic acid
CID 70072066
2-butanoyl-3-sulfanylideneisoindol-1-one
CID 101144835
N-butyl-1,3-dioxoisoindole-2-carboxamide
CID 154333492
2-(ethylsulfanylmethyl)isoindole-1,3-dione
CID 13458998
(3E)-1-methyl-3-propylideneindol-2-one
CID 58101344

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione (CID 100993985) is 2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione is CC/C=C(\CC)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione?
The InChIKey is DAACKNCWWFPYGM-JXMROGBWSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-7-10(4-2)15-13(16)11-8-5-6-9-12(11)14(15)17/h5-9H,3-4H2,1-2H3/b10-7+.
What are the key properties of 2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione?
2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione has a molecular weight of 229.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 100993985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).