6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one

C14H15NO2 — CID 172876198

IUPAC6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one
SMILESC=Cc1ccc2c(c1)C(=O)N(C1CCOC1)C2
InChIInChI=1S/C14H15NO2/c1-2-10-3-4-11-8-15(12-5-6-17-9-12)14(16)13(11)7-10/h2-4,7,12H,1,5-6,8-9H2
InChIKeyLFGYWTQJKPQOKI-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.07
Rot. Bonds2

About 6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one

6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one (PubChem CID 172876198) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one
PubChem CID172876198
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one
SMILESC=Cc1ccc2c(c1)C(=O)N(C1CCOC1)C2
InChIInChI=1S/C14H15NO2/c1-2-10-3-4-11-8-15(12-5-6-17-9-12)14(16)13(11)7-10/h2-4,7,12H,1,5-6,8-9H2
InChIKeyLFGYWTQJKPQOKI-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one?
The IUPAC name of 6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one (CID 172876198) is 6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one is C=Cc1ccc2c(c1)C(=O)N(C1CCOC1)C2.
What is the InChIKey of 6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one?
The InChIKey is LFGYWTQJKPQOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-10-3-4-11-8-15(12-5-6-17-9-12)14(16)13(11)7-10/h2-4,7,12H,1,5-6,8-9H2.
What are the key properties of 6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one?
6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one has a molecular weight of 229.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 172876198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).