O-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine

C11H15NO3 — CID 117298625

IUPACO-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
SMILESCc1cc(CON)c2c(c1C)OCCO2
InChIInChI=1S/C11H15NO3/c1-7-5-9(6-15-12)11-10(8(7)2)13-3-4-14-11/h5H,3-4,6,12H2,1-2H3
InChIKeyAVBRNDLTHFKVLH-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.46
Rot. Bonds2

About O-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine

O-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine (PubChem CID 117298625) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is O-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
PubChem CID117298625
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC NameO-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
SMILESCc1cc(CON)c2c(c1C)OCCO2
InChIInChI=1S/C11H15NO3/c1-7-5-9(6-15-12)11-10(8(7)2)13-3-4-14-11/h5H,3-4,6,12H2,1-2H3
InChIKeyAVBRNDLTHFKVLH-UHFFFAOYSA-N
XLogP1.46
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 117284629
O-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 117298626
O-[(7-methyl-1,3-benzodioxol-4-yl)methyl]hydroxylamine
CID 117278597
O-[(5-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 117331328
3-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropanoic acid
CID 117378854
(6,7-dimethyl-1,3-benzodioxol-4-yl)methanol
CID 117278326
O-[[7-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methyl]hydroxylamine
CID 117326478
1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117442959
O-[2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]hydroxylamine
CID 117464905
O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine
CID 117298628
O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
CID 83698804
O-[[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine
CID 117323149

Frequently Asked Questions

What is the IUPAC name of O-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine?
The IUPAC name of O-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine (CID 117298625) is O-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine is Cc1cc(CON)c2c(c1C)OCCO2.
What is the InChIKey of O-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine?
The InChIKey is AVBRNDLTHFKVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-5-9(6-15-12)11-10(8(7)2)13-3-4-14-11/h5H,3-4,6,12H2,1-2H3.
What are the key properties of O-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine?
O-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine has a molecular weight of 209.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 117298625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).