(NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine

C19H19NO5 — CID 5383421

IUPAC(NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine
SMILESCOc1ccc(C2CCc3cc4c(cc3/C2=N\O)OCO4)cc1OC
InChIInChI=1S/C19H19NO5/c1-22-15-6-4-11(7-16(15)23-2)13-5-3-12-8-17-18(25-10-24-17)9-14(12)19(13)20-21/h4,6-9,13,21H,3,5,10H2,1-2H3/b20-19-
InChIKeyJQEHLDMXRJMVNO-VXPUYCOJSA-N
MW341.36 g/mol
LogP3.34
Rot. Bonds3

About (NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine

(NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine (PubChem CID 5383421) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine
PubChem CID5383421
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine
SMILESCOc1ccc(C2CCc3cc4c(cc3/C2=N\O)OCO4)cc1OC
InChIInChI=1S/C19H19NO5/c1-22-15-6-4-11(7-16(15)23-2)13-5-3-12-8-17-18(25-10-24-17)9-14(12)19(13)20-21/h4,6-9,13,21H,3,5,10H2,1-2H3/b20-19-
InChIKeyJQEHLDMXRJMVNO-VXPUYCOJSA-N
XLogP3.34
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine (CID 5383421) is (NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine is COc1ccc(C2CCc3cc4c(cc3/C2=N\O)OCO4)cc1OC.
What is the InChIKey of (NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine?
The InChIKey is JQEHLDMXRJMVNO-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H19NO5/c1-22-15-6-4-11(7-16(15)23-2)13-5-3-12-8-17-18(25-10-24-17)9-14(12)19(13)20-21/h4,6-9,13,21H,3,5,10H2,1-2H3/b20-19-.
What are the key properties of (NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine?
(NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine has a molecular weight of 341.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine is sourced from PubChem (CID 5383421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).