methoxy-oxo-(2-phenylethenyl)azanium

C9H10NO2+ — CID 123624493

IUPACmethoxy-oxo-(2-phenylethenyl)azanium
SMILESCO[N+](=O)C=Cc1ccccc1
InChIInChI=1S/C9H10NO2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/q+1
InChIKeyYJUCNFKAYMCWBU-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.00
Rot. Bonds3

About methoxy-oxo-(2-phenylethenyl)azanium

methoxy-oxo-(2-phenylethenyl)azanium (PubChem CID 123624493) has the molecular formula C9H10NO2+ and a molecular weight of 164.18 g/mol. Its IUPAC name is methoxy-oxo-(2-phenylethenyl)azanium.

Molecular Properties

Compound Namemethoxy-oxo-(2-phenylethenyl)azanium
PubChem CID123624493
Molecular FormulaC9H10NO2+
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Namemethoxy-oxo-(2-phenylethenyl)azanium
SMILESCO[N+](=O)C=Cc1ccccc1
InChIInChI=1S/C9H10NO2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/q+1
InChIKeyYJUCNFKAYMCWBU-UHFFFAOYSA-N
XLogP2.00
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-nitroethenyl]benzene
CID 5284459
2-nitroethenylbenzene
CID 7626
2-nitroethenylbenzene;2-phenylethenyl acetate
CID 157123844
methoxy-[4-(2-nitroethenyl)phenyl]-oxoazanium
CID 123531168
1-(2-nitroethenyl)-4-phenoxybenzene
CID 54104165
ethane;1-[(E)-2-nitroethenyl]-4-phenoxybenzene;4-phenoxybenzaldehyde
CID 159823535
[(1E,5E)-6-nitrohexa-1,5-dien-3-ynyl]benzene
CID 102228268
acetic acid;stilbene
CID 172803728
1-(2-nitroethenyl)-3-phenoxybenzene
CID 2732974
CID 70569152
CID 70569152
CID 70567885
CID 70567885
2-methoxy-1-methyl-3-nitro-4-(2-phenylethenyl)benzene
CID 139827300

Frequently Asked Questions

What is the IUPAC name of methoxy-oxo-(2-phenylethenyl)azanium?
The IUPAC name of methoxy-oxo-(2-phenylethenyl)azanium (CID 123624493) is methoxy-oxo-(2-phenylethenyl)azanium.
What is the SMILES notation for methoxy-oxo-(2-phenylethenyl)azanium?
The canonical SMILES for methoxy-oxo-(2-phenylethenyl)azanium is CO[N+](=O)C=Cc1ccccc1.
What is the InChIKey of methoxy-oxo-(2-phenylethenyl)azanium?
The InChIKey is YJUCNFKAYMCWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/q+1.
What are the key properties of methoxy-oxo-(2-phenylethenyl)azanium?
methoxy-oxo-(2-phenylethenyl)azanium has a molecular weight of 164.18 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-oxo-(2-phenylethenyl)azanium is sourced from PubChem (CID 123624493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).