US8975415, RP9a

C15H17BrN2O3 — CID 90056181

IUPAC—
SMILESCCC1Oc2ccc(Br)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C15H17BrN2O3/c1-2-12-14(6-19-7-14)15(8-20-13(17)18-15)10-5-9(16)3-4-11(10)21-12/h3-5,12H,2,6-8H2,1H3,(H2,17,18)
InChIKeyUVKPJIHODHUWCZ-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.18
Rot. Bonds1

About US8975415, RP9a

US8975415, RP9a (PubChem CID 90056181) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol.

Molecular Properties

Compound NameUS8975415, RP9a
PubChem CID90056181
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name—
SMILESCCC1Oc2ccc(Br)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C15H17BrN2O3/c1-2-12-14(6-19-7-14)15(8-20-13(17)18-15)10-5-9(16)3-4-11(10)21-12/h3-5,12H,2,6-8H2,1H3,(H2,17,18)
InChIKeyUVKPJIHODHUWCZ-UHFFFAOYSA-N
XLogP2.18
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of US8975415, RP9a?
The IUPAC name of US8975415, RP9a (CID 90056181) is not available.
What is the SMILES notation for US8975415, RP9a?
The canonical SMILES for US8975415, RP9a is CCC1Oc2ccc(Br)cc2C2(COC(N)=N2)C12COC2.
What is the InChIKey of US8975415, RP9a?
The InChIKey is UVKPJIHODHUWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-2-12-14(6-19-7-14)15(8-20-13(17)18-15)10-5-9(16)3-4-11(10)21-12/h3-5,12H,2,6-8H2,1H3,(H2,17,18).
What are the key properties of US8975415, RP9a?
US8975415, RP9a has a molecular weight of 353.22 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for US8975415, RP9a is sourced from PubChem (CID 90056181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).