2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene

C7H10NO3- — CID 163469111

IUPAC2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene
SMILESCON([O-])OC1=CCCC=C1
InChIInChI=1S/C7H10NO3/c1-10-8(9)11-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3/q-1
InChIKeyQSWIPQHOVNSUMG-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.51
Rot. Bonds3

About 2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene

2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene (PubChem CID 163469111) has the molecular formula C7H10NO3- and a molecular weight of 156.16 g/mol. Its IUPAC name is 2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene
PubChem CID163469111
Molecular FormulaC7H10NO3-
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene
SMILESCON([O-])OC1=CCCC=C1
InChIInChI=1S/C7H10NO3/c1-10-8(9)11-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3/q-1
InChIKeyQSWIPQHOVNSUMG-UHFFFAOYSA-N
XLogP1.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxycyclohexa-1,3-diene;propanoic acid
CID 174731082
cyclohexa-1,5-dien-1-yl formate
CID 21076533
cyclohexa-1,5-dien-1-yloxycycloheptane;ethane
CID 178142033
2-heptoxycyclohexa-1,3-diene
CID 21485321
1-cyclohexa-1,5-dien-1-yloxypropan-2-one
CID 23166254
cyclohexa-1,5-dien-1-yloxybenzene
CID 21475481
2-[(2R)-1,1,1-trifluoro-4-methoxybutan-2-yl]oxycyclohexa-1,3-diene
CID 173297075
2-(2-ethylhexoxy)cyclohexa-1,3-diene
CID 19850583
4-cyclohexa-1,5-dien-1-yloxyphenol
CID 129018393
1-(2-cyclohexa-1,5-dien-1-yloxy-2-methylpropyl)-4-methylpiperazine
CID 173163190
O-cyclohexa-1,5-dien-1-yl N-(2-chloro-4-methylthiophen-3-yl)carbamothioate
CID 89214018
[methylperoxy(oxido)amino]oxymethane
CID 163648735

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene?
The IUPAC name of 2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene (CID 163469111) is 2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene.
What is the SMILES notation for 2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene?
The canonical SMILES for 2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene is CON([O-])OC1=CCCC=C1.
What is the InChIKey of 2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene?
The InChIKey is QSWIPQHOVNSUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO3/c1-10-8(9)11-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3/q-1.
What are the key properties of 2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene?
2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene has a molecular weight of 156.16 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(oxido)amino]oxycyclohexa-1,3-diene is sourced from PubChem (CID 163469111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).