3-[(2-bromophenyl)methylamino]oxolan-2-one

C11H12BrNO2 — CID 43824145

IUPAC3-[(2-bromophenyl)methylamino]oxolan-2-one
SMILESO=C1OCCC1NCc1ccccc1Br
InChIInChI=1S/C11H12BrNO2/c12-9-4-2-1-3-8(9)7-13-10-5-6-15-11(10)14/h1-4,10,13H,5-7H2
InChIKeyVPWMSFBEENVHKM-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.85
Rot. Bonds3

About 3-[(2-bromophenyl)methylamino]oxolan-2-one

3-[(2-bromophenyl)methylamino]oxolan-2-one (PubChem CID 43824145) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[(2-bromophenyl)methylamino]oxolan-2-one
PubChem CID43824145
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name3-[(2-bromophenyl)methylamino]oxolan-2-one
SMILESO=C1OCCC1NCc1ccccc1Br
InChIInChI=1S/C11H12BrNO2/c12-9-4-2-1-3-8(9)7-13-10-5-6-15-11(10)14/h1-4,10,13H,5-7H2
InChIKeyVPWMSFBEENVHKM-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
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-[(2-bromophenyl)methylamino]oxolan-2-one?
The IUPAC name of 3-[(2-bromophenyl)methylamino]oxolan-2-one (CID 43824145) is 3-[(2-bromophenyl)methylamino]oxolan-2-one.
What is the SMILES notation for 3-[(2-bromophenyl)methylamino]oxolan-2-one?
The canonical SMILES for 3-[(2-bromophenyl)methylamino]oxolan-2-one is O=C1OCCC1NCc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methylamino]oxolan-2-one?
The InChIKey is VPWMSFBEENVHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-9-4-2-1-3-8(9)7-13-10-5-6-15-11(10)14/h1-4,10,13H,5-7H2.
What are the key properties of 3-[(2-bromophenyl)methylamino]oxolan-2-one?
3-[(2-bromophenyl)methylamino]oxolan-2-one has a molecular weight of 270.13 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methylamino]oxolan-2-one is sourced from PubChem (CID 43824145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).