N-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine

C15H19NO4 — CID 118275272

IUPACN-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine
SMILESON(CC1CO1)c1cccc(CC2CO2)c1CC1CO1
InChIInChI=1S/C15H19NO4/c17-16(6-13-9-20-13)15-3-1-2-10(4-11-7-18-11)14(15)5-12-8-19-12/h1-3,11-13,17H,4-9H2
InChIKeyINBHHFZSTUVPRB-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.16
Rot. Bonds7

About N-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine

N-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine (PubChem CID 118275272) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine.

Molecular Properties

Compound NameN-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine
PubChem CID118275272
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC NameN-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine
SMILESON(CC1CO1)c1cccc(CC2CO2)c1CC1CO1
InChIInChI=1S/C15H19NO4/c17-16(6-13-9-20-13)15-3-1-2-10(4-11-7-18-11)14(15)5-12-8-19-12/h1-3,11-13,17H,4-9H2
InChIKeyINBHHFZSTUVPRB-UHFFFAOYSA-N
XLogP1.16
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine?
The IUPAC name of N-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine (CID 118275272) is N-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine.
What is the SMILES notation for N-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine?
The canonical SMILES for N-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine is ON(CC1CO1)c1cccc(CC2CO2)c1CC1CO1.
What is the InChIKey of N-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine?
The InChIKey is INBHHFZSTUVPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-16(6-13-9-20-13)15-3-1-2-10(4-11-7-18-11)14(15)5-12-8-19-12/h1-3,11-13,17H,4-9H2.
What are the key properties of N-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine?
N-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine has a molecular weight of 277.32 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(oxiran-2-ylmethyl)phenyl]-N-(oxiran-2-ylmethyl)hydroxylamine is sourced from PubChem (CID 118275272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).