2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione

C20H18N2O5 — CID 10690247

IUPAC2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C/C=C\COc1cc(C2OCCO2)ccn1
InChIInChI=1S/C20H18N2O5/c23-18-15-5-1-2-6-16(15)19(24)22(18)9-3-4-10-25-17-13-14(7-8-21-17)20-26-11-12-27-20/h1-8,13,20H,9-12H2/b4-3-
InChIKeyNZGYLELIHSEQQN-ARJAWSKDSA-N
MW366.37 g/mol
LogP2.36
Rot. Bonds6

About 2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione

2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione (PubChem CID 10690247) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione
PubChem CID10690247
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C/C=C\COc1cc(C2OCCO2)ccn1
InChIInChI=1S/C20H18N2O5/c23-18-15-5-1-2-6-16(15)19(24)22(18)9-3-4-10-25-17-13-14(7-8-21-17)20-26-11-12-27-20/h1-8,13,20H,9-12H2/b4-3-
InChIKeyNZGYLELIHSEQQN-ARJAWSKDSA-N
XLogP2.36
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione (CID 10690247) is 2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C/C=C\COc1cc(C2OCCO2)ccn1.
What is the InChIKey of 2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione?
The InChIKey is NZGYLELIHSEQQN-ARJAWSKDSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-18-15-5-1-2-6-16(15)19(24)22(18)9-3-4-10-25-17-13-14(7-8-21-17)20-26-11-12-27-20/h1-8,13,20H,9-12H2/b4-3-.
What are the key properties of 2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione?
2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione has a molecular weight of 366.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-[[4-(1,3-dioxolan-2-yl)-2-pyridinyl]oxy]but-2-enyl]isoindole-1,3-dione is sourced from PubChem (CID 10690247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).