ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione

C15H19NO2 — CID 142125300

IUPACethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione
SMILESCC.CC/C=C/CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H13NO2.C2H6/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(14)16;1-2/h3-8H,2,9H2,1H3;1-2H3/b6-3+;
InChIKeyGIXRVRRYNSALSC-ZIKNSQGESA-N
MW245.32 g/mol
LogP3.28
Rot. Bonds3

About ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione

ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione (PubChem CID 142125300) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione.

Molecular Properties

Compound Nameethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione
PubChem CID142125300
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Nameethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione
SMILESCC.CC/C=C/CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H13NO2.C2H6/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(14)16;1-2/h3-8H,2,9H2,1H3;1-2H3/b6-3+;
InChIKeyGIXRVRRYNSALSC-ZIKNSQGESA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-4-aminobut-2-enyl]isoindole-1,3-dione
CID 71285690
2-[4-(methylamino)but-2-enyl]isoindole-1,3-dione
CID 123904832
2-[(2E,4Z)-5-sulfanylpenta-2,4-dienyl]isoindole-1,3-dione
CID 143478866
2-pent-2-enoxyisoindole-1,3-dione
CID 59905208
2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione
CID 150593659
2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene
CID 143563260
(Z)-7-(1,3-dioxoisoindol-2-yl)hept-5-enoic acid
CID 67946768
2-[(E)-4-phenylmethoxybut-2-enyl]isoindole-1,3-dione
CID 139959561
2-[(E)-3-(5-methylfuran-2-yl)prop-2-enyl]isoindole-1,3-dione
CID 102314031
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione
CID 23047146
2-[(E)-3-thiophen-2-ylprop-2-enyl]isoindole-1,3-dione
CID 15579968
2-[(E)-3-(2-nitrophenyl)prop-2-enyl]isoindole-1,3-dione
CID 15736812

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione?
The IUPAC name of ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione (CID 142125300) is ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione.
What is the SMILES notation for ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione?
The canonical SMILES for ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione is CC.CC/C=C/CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione?
The InChIKey is GIXRVRRYNSALSC-ZIKNSQGESA-N. The full InChI is InChI=1S/C13H13NO2.C2H6/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(14)16;1-2/h3-8H,2,9H2,1H3;1-2H3/b6-3+;.
What are the key properties of ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione?
ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione has a molecular weight of 245.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(E)-pent-2-enyl]isoindole-1,3-dione is sourced from PubChem (CID 142125300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).