O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine

C11H15NO3 — CID 117298628

IUPACO-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine
SMILESCc1c(CON)ccc2c1OCCCO2
InChIInChI=1S/C11H15NO3/c1-8-9(7-15-12)3-4-10-11(8)14-6-2-5-13-10/h3-4H,2,5-7,12H2,1H3
InChIKeyQVPLQCNFSGYRKR-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.55
Rot. Bonds2

About O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine

O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine (PubChem CID 117298628) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine
PubChem CID117298628
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC NameO-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine
SMILESCc1c(CON)ccc2c1OCCCO2
InChIInChI=1S/C11H15NO3/c1-8-9(7-15-12)3-4-10-11(8)14-6-2-5-13-10/h3-4H,2,5-7,12H2,1H3
InChIKeyQVPLQCNFSGYRKR-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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

O-[(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydroxylamine
CID 117307229
O-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 117298626
O-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine
CID 117323146
5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 126703124
3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
CID 84699356
2-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-amine
CID 117316786
4-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanoic acid
CID 117379156
N-methyl-1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 84664778
2,2-dimethyl-3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
CID 117415131
O-[(7-methyl-1,3-benzodioxol-4-yl)methyl]hydroxylamine
CID 117278597
O-[(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine
CID 117319909
O-[(5-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]hydroxylamine
CID 117331328

Frequently Asked Questions

What is the IUPAC name of O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine?
The IUPAC name of O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine (CID 117298628) is O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine is Cc1c(CON)ccc2c1OCCCO2.
What is the InChIKey of O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine?
The InChIKey is QVPLQCNFSGYRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-9(7-15-12)3-4-10-11(8)14-6-2-5-13-10/h3-4H,2,5-7,12H2,1H3.
What are the key properties of O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine?
O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine has a molecular weight of 209.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydroxylamine is sourced from PubChem (CID 117298628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).