N-[1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)ethylidene]hydroxylamine

C13H17NO3 — CID 88755726

IUPACN-[1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)ethylidene]hydroxylamine
SMILESCC(=NO)C1(C)COC(c2ccccc2)OC1
InChIInChI=1S/C13H17NO3/c1-10(14-15)13(2)8-16-12(17-9-13)11-6-4-3-5-7-11/h3-7,12,15H,8-9H2,1-2H3
InChIKeyMQQFNBJMRXEHHR-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.59
Rot. Bonds2

About N-[1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)ethylidene]hydroxylamine

N-[1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)ethylidene]hydroxylamine (PubChem CID 88755726) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)ethylidene]hydroxylamine
PubChem CID88755726
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)ethylidene]hydroxylamine
SMILESCC(=NO)C1(C)COC(c2ccccc2)OC1
InChIInChI=1S/C13H17NO3/c1-10(14-15)13(2)8-16-12(17-9-13)11-6-4-3-5-7-11/h3-7,12,15H,8-9H2,1-2H3
InChIKeyMQQFNBJMRXEHHR-UHFFFAOYSA-N
XLogP2.59
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)ethylidene]hydroxylamine (CID 88755726) is N-[1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)ethylidene]hydroxylamine is CC(=NO)C1(C)COC(c2ccccc2)OC1.
What is the InChIKey of N-[1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)ethylidene]hydroxylamine?
The InChIKey is MQQFNBJMRXEHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(14-15)13(2)8-16-12(17-9-13)11-6-4-3-5-7-11/h3-7,12,15H,8-9H2,1-2H3.
What are the key properties of N-[1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)ethylidene]hydroxylamine?
N-[1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)ethylidene]hydroxylamine has a molecular weight of 235.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-2-phenyl-1,3-dioxan-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 88755726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).