N-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine

C11H13NO3 — CID 135386447

IUPACN-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine
SMILESON=C[C@@H]1CCOC(c2ccccc2)O1
InChIInChI=1S/C11H13NO3/c13-12-8-10-6-7-14-11(15-10)9-4-2-1-3-5-9/h1-5,8,10-11,13H,6-7H2/t10-,11?/m0/s1
InChIKeyVFROXIHLDUEBMG-VUWPPUDQSA-N
MW207.23 g/mol
LogP1.95
Rot. Bonds2

About N-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine

N-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine (PubChem CID 135386447) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine
PubChem CID135386447
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine
SMILESON=C[C@@H]1CCOC(c2ccccc2)O1
InChIInChI=1S/C11H13NO3/c13-12-8-10-6-7-14-11(15-10)9-4-2-1-3-5-9/h1-5,8,10-11,13H,6-7H2/t10-,11?/m0/s1
InChIKeyVFROXIHLDUEBMG-VUWPPUDQSA-N
XLogP1.95
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.95
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-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine (CID 135386447) is N-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine is ON=C[C@@H]1CCOC(c2ccccc2)O1.
What is the InChIKey of N-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine?
The InChIKey is VFROXIHLDUEBMG-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H13NO3/c13-12-8-10-6-7-14-11(15-10)9-4-2-1-3-5-9/h1-5,8,10-11,13H,6-7H2/t10-,11?/m0/s1.
What are the key properties of N-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine?
N-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine has a molecular weight of 207.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine is sourced from PubChem (CID 135386447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).