(NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropylidene]hydroxylamine

C17H17NO3 — CID 5345210

IUPAC(NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropylidene]hydroxylamine
SMILESO/N=C(/CCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO3/c19-18-15(8-6-13-4-2-1-3-5-13)14-7-9-16-17(12-14)21-11-10-20-16/h1-5,7,9,12,19H,6,8,10-11H2/b18-15-
InChIKeyAALSXVYLEMDJDV-SDXDJHTJSA-N
MW283.33 g/mol
LogP3.27
Rot. Bonds4

About (NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropylidene]hydroxylamine

(NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropylidene]hydroxylamine (PubChem CID 5345210) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropylidene]hydroxylamine
PubChem CID5345210
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropylidene]hydroxylamine
SMILESO/N=C(/CCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO3/c19-18-15(8-6-13-4-2-1-3-5-13)14-7-9-16-17(12-14)21-11-10-20-16/h1-5,7,9,12,19H,6,8,10-11H2/b18-15-
InChIKeyAALSXVYLEMDJDV-SDXDJHTJSA-N
XLogP3.27
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.27
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 (NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropylidene]hydroxylamine (CID 5345210) is (NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropylidene]hydroxylamine is O/N=C(/CCc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of (NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropylidene]hydroxylamine?
The InChIKey is AALSXVYLEMDJDV-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H17NO3/c19-18-15(8-6-13-4-2-1-3-5-13)14-7-9-16-17(12-14)21-11-10-20-16/h1-5,7,9,12,19H,6,8,10-11H2/b18-15-.
What are the key properties of (NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropylidene]hydroxylamine?
(NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropylidene]hydroxylamine has a molecular weight of 283.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropylidene]hydroxylamine is sourced from PubChem (CID 5345210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).