1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide

C11H13NO2 — CID 177471606

IUPAC1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide
SMILESC/C=C/[N+]([O-])=C/c1ccc(OC)cc1
InChIInChI=1S/C11H13NO2/c1-3-8-12(13)9-10-4-6-11(14-2)7-5-10/h3-9H,1-2H3/b8-3+,12-9-
InChIKeyRQPODIOCKYIJPO-WUNWHZBVSA-N
MW191.23 g/mol
LogP2.16
Rot. Bonds3

About 1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide

1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide (PubChem CID 177471606) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide
PubChem CID177471606
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide
SMILESC/C=C/[N+]([O-])=C/c1ccc(OC)cc1
InChIInChI=1S/C11H13NO2/c1-3-8-12(13)9-10-4-6-11(14-2)7-5-10/h3-9H,1-2H3/b8-3+,12-9-
InChIKeyRQPODIOCKYIJPO-WUNWHZBVSA-N
XLogP2.16
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

sodium (4-methoxyphenyl)methylidene-dioxidoazanium
CID 53304439
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
N-(4-cyanophenyl)-1-(4-methoxyphenyl)methanimine oxide
CID 139057561
1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide
CID 3800043
(Z)-but-2-ene;1-methoxy-4-methylbenzene
CID 143799535
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
1-(4-methoxyphenyl)-N-prop-1-enylmethanimine
CID 73167475
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
dithiirane-3-thione;1-methoxy-4-prop-1-enylbenzene
CID 175445582
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide (CID 177471606) is 1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide is C/C=C/[N+]([O-])=C/c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide?
The InChIKey is RQPODIOCKYIJPO-WUNWHZBVSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-8-12(13)9-10-4-6-11(14-2)7-5-10/h3-9H,1-2H3/b8-3+,12-9-.
What are the key properties of 1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide?
1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide has a molecular weight of 191.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide is sourced from PubChem (CID 177471606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).