(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine

C11H13NO3 — CID 10584441

IUPAC(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
SMILESC=CCOc1cc(OC)ccc1/C=N/O
InChIInChI=1S/C11H13NO3/c1-3-6-15-11-7-10(14-2)5-4-9(11)8-12-13/h3-5,7-8,13H,1,6H2,2H3/b12-8+
InChIKeyXVHBVFQWIKQPCE-XYOKQWHBSA-N
MW207.23 g/mol
LogP2.07
Rot. Bonds5

About (NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine (PubChem CID 10584441) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
PubChem CID10584441
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
SMILESC=CCOc1cc(OC)ccc1/C=N/O
InChIInChI=1S/C11H13NO3/c1-3-6-15-11-7-10(14-2)5-4-9(11)8-12-13/h3-5,7-8,13H,1,6H2,2H3/b12-8+
InChIKeyXVHBVFQWIKQPCE-XYOKQWHBSA-N
XLogP2.07
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22684938
N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 20988942
N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22680097
(NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42206426
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 42315478
bis(4-methoxy-2-prop-2-enoxyphenyl)methanone
CID 134843871
1-chloro-4-methoxy-2-prop-2-enoxybenzene
CID 20701294
1-bromo-4-methoxy-2-prop-2-enoxybenzene
CID 14703422
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
6-methoxy-4-prop-2-enoxyquinoline
CID 86730706
1-[2,4-bis(prop-2-enoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 4575750
1-(2,4-dimethoxyphenyl)-N-methylmethanimine
CID 518060

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine (CID 10584441) is (NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine is C=CCOc1cc(OC)ccc1/C=N/O.
What is the InChIKey of (NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine?
The InChIKey is XVHBVFQWIKQPCE-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-6-15-11-7-10(14-2)5-4-9(11)8-12-13/h3-5,7-8,13H,1,6H2,2H3/b12-8+.
What are the key properties of (NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine has a molecular weight of 207.23 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 10584441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).