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

C10H11NO3 — CID 3146849

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H11NO3/c1-7(11-12)8-2-3-9-10(6-8)14-5-4-13-9/h2-3,6,12H,4-5H2,1H3
InChIKeyOVZBNCGFDLVCLL-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.66
Rot. Bonds1

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

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine (PubChem CID 3146849) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine
PubChem CID3146849
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H11NO3/c1-7(11-12)8-2-3-9-10(6-8)14-5-4-13-9/h2-3,6,12H,4-5H2,1H3
InChIKeyOVZBNCGFDLVCLL-UHFFFAOYSA-N
XLogP1.66
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.66
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

(Z)-1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-N-[(E)-1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethylideneamino]ethanimine
CID 99042040
1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-N-[1-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethylideneamino]ethanimine
CID 4542130
2-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]guanidine
CID 9057972
1-(21-acetyl-2,5,12,15,18-pentaoxatricyclo[17.4.0.06,11]tricosa-1(19),6(11),7,9,20,22-hexaen-8-yl)ethanone
CID 3935960
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 24699163
N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-2-methylaniline
CID 9014748
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]acetamide
CID 82116531
1-(2,6-dichlorophenyl)-N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]methanamine
CID 19060154
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
1-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)ethanone
CID 3911959
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 5094296
6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine
CID 89352282

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine (CID 3146849) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine is CC(=NO)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine?
The InChIKey is OVZBNCGFDLVCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(11-12)8-2-3-9-10(6-8)14-5-4-13-9/h2-3,6,12H,4-5H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine has a molecular weight of 193.20 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 3146849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).