(NZ)-N-[(5-prop-2-enoxy-1,3-benzodioxol-4-yl)methylidene]hydroxylamine

C11H11NO4 — CID 118091003

IUPAC(NZ)-N-[(5-prop-2-enoxy-1,3-benzodioxol-4-yl)methylidene]hydroxylamine
SMILESC=CCOc1ccc2c(c1/C=N\O)OCO2
InChIInChI=1S/C11H11NO4/c1-2-5-14-9-3-4-10-11(16-7-15-10)8(9)6-12-13/h2-4,6,13H,1,5,7H2/b12-6-
InChIKeyOTLWVCHNFFXNSO-SDQBBNPISA-N
MW221.21 g/mol
LogP1.79
Rot. Bonds4

About (NZ)-N-[(5-prop-2-enoxy-1,3-benzodioxol-4-yl)methylidene]hydroxylamine

(NZ)-N-[(5-prop-2-enoxy-1,3-benzodioxol-4-yl)methylidene]hydroxylamine (PubChem CID 118091003) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is (NZ)-N-[(5-prop-2-enoxy-1,3-benzodioxol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(5-prop-2-enoxy-1,3-benzodioxol-4-yl)methylidene]hydroxylamine
PubChem CID118091003
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(NZ)-N-[(5-prop-2-enoxy-1,3-benzodioxol-4-yl)methylidene]hydroxylamine
SMILESC=CCOc1ccc2c(c1/C=N\O)OCO2
InChIInChI=1S/C11H11NO4/c1-2-5-14-9-3-4-10-11(16-7-15-10)8(9)6-12-13/h2-4,6,13H,1,5,7H2/b12-6-
InChIKeyOTLWVCHNFFXNSO-SDQBBNPISA-N
XLogP1.79
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

4-methylsulfanyl-5-prop-2-enoxy-1,3-benzodioxole
CID 121219367
4-(2-prop-2-enoxyphenyl)-1,3-benzodioxole
CID 91017639
N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 659181
5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine
CID 121015180
1-(1,3-benzodioxol-5-yl)-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride
CID 6457612
(E)-3-(1,3-benzodioxol-5-yl)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]prop-2-enamide
CID 45108992
5-but-3-enoxy-1,3-benzodioxole
CID 10511936
5-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxole-4-carbaldehyde
CID 167725112
5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole
CID 6992694
3-(1,3-benzodioxol-5-yl)-1-hydroxy-4-(2-prop-2-enoxyphenyl)butan-2-one
CID 118186733
N-(1,3-benzodioxol-5-yl)-N-[(2-prop-2-enoxyphenyl)methyl]propanamide
CID 167100332
[4-[(E)-2-cyanoethenyl]-1,3-benzodioxol-5-yl] N,N-diethylcarbamate
CID 71605330

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(5-prop-2-enoxy-1,3-benzodioxol-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(5-prop-2-enoxy-1,3-benzodioxol-4-yl)methylidene]hydroxylamine (CID 118091003) is (NZ)-N-[(5-prop-2-enoxy-1,3-benzodioxol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(5-prop-2-enoxy-1,3-benzodioxol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(5-prop-2-enoxy-1,3-benzodioxol-4-yl)methylidene]hydroxylamine is C=CCOc1ccc2c(c1/C=N\O)OCO2.
What is the InChIKey of (NZ)-N-[(5-prop-2-enoxy-1,3-benzodioxol-4-yl)methylidene]hydroxylamine?
The InChIKey is OTLWVCHNFFXNSO-SDQBBNPISA-N. The full InChI is InChI=1S/C11H11NO4/c1-2-5-14-9-3-4-10-11(16-7-15-10)8(9)6-12-13/h2-4,6,13H,1,5,7H2/b12-6-.
What are the key properties of (NZ)-N-[(5-prop-2-enoxy-1,3-benzodioxol-4-yl)methylidene]hydroxylamine?
(NZ)-N-[(5-prop-2-enoxy-1,3-benzodioxol-4-yl)methylidene]hydroxylamine has a molecular weight of 221.21 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(5-prop-2-enoxy-1,3-benzodioxol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 118091003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).