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

C15H19NO3 — CID 5401683

IUPAC(NZ)-N-[cyclohexyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]hydroxylamine
SMILESO/N=C(\c1ccc2c(c1)OCCO2)C1CCCCC1
InChIInChI=1S/C15H19NO3/c17-16-15(11-4-2-1-3-5-11)12-6-7-13-14(10-12)19-9-8-18-13/h6-7,10-11,17H,1-5,8-9H2/b16-15-
InChIKeyJWZDVHOHVLYPHU-NXVVXOECSA-N
MW261.32 g/mol
LogP3.22
Rot. Bonds2

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

(NZ)-N-[cyclohexyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]hydroxylamine (PubChem CID 5401683) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (NZ)-N-[cyclohexyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[cyclohexyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]hydroxylamine
PubChem CID5401683
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(NZ)-N-[cyclohexyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]hydroxylamine
SMILESO/N=C(\c1ccc2c(c1)OCCO2)C1CCCCC1
InChIInChI=1S/C15H19NO3/c17-16-15(11-4-2-1-3-5-11)12-6-7-13-14(10-12)19-9-8-18-13/h6-7,10-11,17H,1-5,8-9H2/b16-15-
InChIKeyJWZDVHOHVLYPHU-NXVVXOECSA-N
XLogP3.22
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.22
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-[cyclohexyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[cyclohexyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]hydroxylamine (CID 5401683) is (NZ)-N-[cyclohexyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[cyclohexyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[cyclohexyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]hydroxylamine is O/N=C(\c1ccc2c(c1)OCCO2)C1CCCCC1.
What is the InChIKey of (NZ)-N-[cyclohexyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]hydroxylamine?
The InChIKey is JWZDVHOHVLYPHU-NXVVXOECSA-N. The full InChI is InChI=1S/C15H19NO3/c17-16-15(11-4-2-1-3-5-11)12-6-7-13-14(10-12)19-9-8-18-13/h6-7,10-11,17H,1-5,8-9H2/b16-15-.
What are the key properties of (NZ)-N-[cyclohexyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]hydroxylamine?
(NZ)-N-[cyclohexyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]hydroxylamine has a molecular weight of 261.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[cyclohexyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]hydroxylamine is sourced from PubChem (CID 5401683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).