US8975415, RP1a

C14H15BrN2O3 — CID 86724291

IUPAC—
SMILESNC1=NC2(CO1)c1cc(Br)ccc1OCC21CCCO1
InChIInChI=1S/C14H15BrN2O3/c15-9-2-3-11-10(6-9)14(8-19-12(16)17-14)13(7-18-11)4-1-5-20-13/h2-3,6H,1,4-5,7-8H2,(H2,16,17)
InChIKeyXPMGWHVEGYGUIQ-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.93
Rot. Bonds

About US8975415, RP1a

US8975415, RP1a (PubChem CID 86724291) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol.

Molecular Properties

Compound NameUS8975415, RP1a
PubChem CID86724291
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name—
SMILESNC1=NC2(CO1)c1cc(Br)ccc1OCC21CCCO1
InChIInChI=1S/C14H15BrN2O3/c15-9-2-3-11-10(6-9)14(8-19-12(16)17-14)13(7-18-11)4-1-5-20-13/h2-3,6H,1,4-5,7-8H2,(H2,16,17)
InChIKeyXPMGWHVEGYGUIQ-UHFFFAOYSA-N
XLogP1.93
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of US8975415, RP1a?
The IUPAC name of US8975415, RP1a (CID 86724291) is not available.
What is the SMILES notation for US8975415, RP1a?
The canonical SMILES for US8975415, RP1a is NC1=NC2(CO1)c1cc(Br)ccc1OCC21CCCO1.
What is the InChIKey of US8975415, RP1a?
The InChIKey is XPMGWHVEGYGUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c15-9-2-3-11-10(6-9)14(8-19-12(16)17-14)13(7-18-11)4-1-5-20-13/h2-3,6H,1,4-5,7-8H2,(H2,16,17).
What are the key properties of US8975415, RP1a?
US8975415, RP1a has a molecular weight of 339.19 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for US8975415, RP1a is sourced from PubChem (CID 86724291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).