(NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine

C14H19NO3 — CID 55023414

IUPAC(NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccccc1OCC1CCCO1
InChIInChI=1S/C14H19NO3/c1-2-13(15-16)12-7-3-4-8-14(12)18-10-11-6-5-9-17-11/h3-4,7-8,11,16H,2,5-6,9-10H2,1H3/b15-13-
InChIKeyRLOYLMNNIIWWIM-SQFISAMPSA-N
MW249.31 g/mol
LogP2.83
Rot. Bonds5

About (NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine

(NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine (PubChem CID 55023414) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine
PubChem CID55023414
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccccc1OCC1CCCO1
InChIInChI=1S/C14H19NO3/c1-2-13(15-16)12-7-3-4-8-14(12)18-10-11-6-5-9-17-11/h3-4,7-8,11,16H,2,5-6,9-10H2,1H3/b15-13-
InChIKeyRLOYLMNNIIWWIM-SQFISAMPSA-N
XLogP2.83
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.83
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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Related Compounds

N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide
CID 43200025
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-ol
CID 43503555
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
(4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 27147014
potassium trifluoro-[2-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63676632
(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
CID 78932149
N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 107109641
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
[(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124591399
N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 42923990

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine (CID 55023414) is (NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine is CC/C(=N/O)c1ccccc1OCC1CCCO1.
What is the InChIKey of (NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine?
The InChIKey is RLOYLMNNIIWWIM-SQFISAMPSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-13(15-16)12-7-3-4-8-14(12)18-10-11-6-5-9-17-11/h3-4,7-8,11,16H,2,5-6,9-10H2,1H3/b15-13-.
What are the key properties of (NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine?
(NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine has a molecular weight of 249.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 55023414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).