N-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)hydroxylamine

C9H15NO4 — CID 89073946

IUPACN-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)hydroxylamine
SMILESCOC1=CC(NO)=CC(OC)C1OC
InChIInChI=1S/C9H15NO4/c1-12-7-4-6(10-11)5-8(13-2)9(7)14-3/h4-5,7,9-11H,1-3H3
InChIKeyMUEJXFSRZHYGOZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.42
Rot. Bonds4

About N-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)hydroxylamine

N-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)hydroxylamine (PubChem CID 89073946) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is N-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)hydroxylamine.

Molecular Properties

Compound NameN-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)hydroxylamine
PubChem CID89073946
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC NameN-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)hydroxylamine
SMILESCOC1=CC(NO)=CC(OC)C1OC
InChIInChI=1S/C9H15NO4/c1-12-7-4-6(10-11)5-8(13-2)9(7)14-3/h4-5,7,9-11H,1-3H3
InChIKeyMUEJXFSRZHYGOZ-UHFFFAOYSA-N
XLogP0.42
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)hydroxylamine?
The IUPAC name of N-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)hydroxylamine (CID 89073946) is N-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)hydroxylamine.
What is the SMILES notation for N-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)hydroxylamine?
The canonical SMILES for N-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)hydroxylamine is COC1=CC(NO)=CC(OC)C1OC.
What is the InChIKey of N-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)hydroxylamine?
The InChIKey is MUEJXFSRZHYGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-12-7-4-6(10-11)5-8(13-2)9(7)14-3/h4-5,7,9-11H,1-3H3.
What are the key properties of N-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)hydroxylamine?
N-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)hydroxylamine has a molecular weight of 201.22 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trimethoxycyclohexa-1,5-dien-1-yl)hydroxylamine is sourced from PubChem (CID 89073946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).