3-amino-5-(4-bromophenyl)oxolan-2-one

C10H10BrNO2 — CID 82159789

IUPAC3-amino-5-(4-bromophenyl)oxolan-2-one
SMILESNC1CC(c2ccc(Br)cc2)OC1=O
InChIInChI=1S/C10H10BrNO2/c11-7-3-1-6(2-4-7)9-5-8(12)10(13)14-9/h1-4,8-9H,5,12H2
InChIKeyBVOMVPVNECEPNZ-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.76
Rot. Bonds1

About 3-amino-5-(4-bromophenyl)oxolan-2-one

3-amino-5-(4-bromophenyl)oxolan-2-one (PubChem CID 82159789) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 3-amino-5-(4-bromophenyl)oxolan-2-one.

Molecular Properties

Compound Name3-amino-5-(4-bromophenyl)oxolan-2-one
PubChem CID82159789
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name3-amino-5-(4-bromophenyl)oxolan-2-one
SMILESNC1CC(c2ccc(Br)cc2)OC1=O
InChIInChI=1S/C10H10BrNO2/c11-7-3-1-6(2-4-7)9-5-8(12)10(13)14-9/h1-4,8-9H,5,12H2
InChIKeyBVOMVPVNECEPNZ-UHFFFAOYSA-N
XLogP1.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-bromophenyl)oxolan-2-one?
The IUPAC name of 3-amino-5-(4-bromophenyl)oxolan-2-one (CID 82159789) is 3-amino-5-(4-bromophenyl)oxolan-2-one.
What is the SMILES notation for 3-amino-5-(4-bromophenyl)oxolan-2-one?
The canonical SMILES for 3-amino-5-(4-bromophenyl)oxolan-2-one is NC1CC(c2ccc(Br)cc2)OC1=O.
What is the InChIKey of 3-amino-5-(4-bromophenyl)oxolan-2-one?
The InChIKey is BVOMVPVNECEPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-7-3-1-6(2-4-7)9-5-8(12)10(13)14-9/h1-4,8-9H,5,12H2.
What are the key properties of 3-amino-5-(4-bromophenyl)oxolan-2-one?
3-amino-5-(4-bromophenyl)oxolan-2-one has a molecular weight of 256.10 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-bromophenyl)oxolan-2-one is sourced from PubChem (CID 82159789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).