3-[1-(benzylamino)ethenyl]oxolan-2-one

C13H15NO2 — CID 11820655

IUPAC3-[1-(benzylamino)ethenyl]oxolan-2-one
SMILESC=C(NCc1ccccc1)C1CCOC1=O
InChIInChI=1S/C13H15NO2/c1-10(12-7-8-16-13(12)15)14-9-11-5-3-2-4-6-11/h2-6,12,14H,1,7-9H2
InChIKeyGKPYYVZIHCBCSJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.85
Rot. Bonds4

About 3-[1-(benzylamino)ethenyl]oxolan-2-one

3-[1-(benzylamino)ethenyl]oxolan-2-one (PubChem CID 11820655) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[1-(benzylamino)ethenyl]oxolan-2-one.

Molecular Properties

Compound Name3-[1-(benzylamino)ethenyl]oxolan-2-one
PubChem CID11820655
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-[1-(benzylamino)ethenyl]oxolan-2-one
SMILESC=C(NCc1ccccc1)C1CCOC1=O
InChIInChI=1S/C13H15NO2/c1-10(12-7-8-16-13(12)15)14-9-11-5-3-2-4-6-11/h2-6,12,14H,1,7-9H2
InChIKeyGKPYYVZIHCBCSJ-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzylamino)ethenyl]oxolan-2-one?
The IUPAC name of 3-[1-(benzylamino)ethenyl]oxolan-2-one (CID 11820655) is 3-[1-(benzylamino)ethenyl]oxolan-2-one.
What is the SMILES notation for 3-[1-(benzylamino)ethenyl]oxolan-2-one?
The canonical SMILES for 3-[1-(benzylamino)ethenyl]oxolan-2-one is C=C(NCc1ccccc1)C1CCOC1=O.
What is the InChIKey of 3-[1-(benzylamino)ethenyl]oxolan-2-one?
The InChIKey is GKPYYVZIHCBCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10(12-7-8-16-13(12)15)14-9-11-5-3-2-4-6-11/h2-6,12,14H,1,7-9H2.
What are the key properties of 3-[1-(benzylamino)ethenyl]oxolan-2-one?
3-[1-(benzylamino)ethenyl]oxolan-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(benzylamino)ethenyl]oxolan-2-one is sourced from PubChem (CID 11820655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).