3-(benzylamino)oxolan-2-one

C11H13NO2 — CID 43824123

IUPAC3-(benzylamino)oxolan-2-one
SMILESO=C1OCCC1NCc1ccccc1
InChIInChI=1S/C11H13NO2/c13-11-10(6-7-14-11)12-8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKeyGYAWQIHUDRAWSZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.09
Rot. Bonds3

About 3-(benzylamino)oxolan-2-one

3-(benzylamino)oxolan-2-one (PubChem CID 43824123) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(benzylamino)oxolan-2-one.

Molecular Properties

Compound Name3-(benzylamino)oxolan-2-one
PubChem CID43824123
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(benzylamino)oxolan-2-one
SMILESO=C1OCCC1NCc1ccccc1
InChIInChI=1S/C11H13NO2/c13-11-10(6-7-14-11)12-8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKeyGYAWQIHUDRAWSZ-UHFFFAOYSA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)oxolan-2-one?
The IUPAC name of 3-(benzylamino)oxolan-2-one (CID 43824123) is 3-(benzylamino)oxolan-2-one.
What is the SMILES notation for 3-(benzylamino)oxolan-2-one?
The canonical SMILES for 3-(benzylamino)oxolan-2-one is O=C1OCCC1NCc1ccccc1.
What is the InChIKey of 3-(benzylamino)oxolan-2-one?
The InChIKey is GYAWQIHUDRAWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11-10(6-7-14-11)12-8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2.
What are the key properties of 3-(benzylamino)oxolan-2-one?
3-(benzylamino)oxolan-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)oxolan-2-one is sourced from PubChem (CID 43824123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).