(NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine

C11H11NO3 — CID 10104391

IUPAC(NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
SMILESC#CCOc1c(/C=N/O)cccc1OC
InChIInChI=1S/C11H11NO3/c1-3-7-15-11-9(8-12-13)5-4-6-10(11)14-2/h1,4-6,8,13H,7H2,2H3/b12-8+
InChIKeyPPMBPOVPLWWJPN-XYOKQWHBSA-N
MW205.21 g/mol
LogP1.52
Rot. Bonds4

About (NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine (PubChem CID 10104391) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
PubChem CID10104391
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
SMILESC#CCOc1c(/C=N/O)cccc1OC
InChIInChI=1S/C11H11NO3/c1-3-7-15-11-9(8-12-13)5-4-6-10(11)14-2/h1,4-6,8,13H,7H2,2H3/b12-8+
InChIKeyPPMBPOVPLWWJPN-XYOKQWHBSA-N
XLogP1.52
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 23722991
N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680693
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 22682151
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20984774
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42304835
(NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 42252267
4-[(3-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 5164265
(NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42337499
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680932
(NE)-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42302807
N-(2-bromophenyl)-N'-[(3-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]propanediamide
CID 4022638
2-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576207

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine (CID 10104391) is (NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine is C#CCOc1c(/C=N/O)cccc1OC.
What is the InChIKey of (NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine?
The InChIKey is PPMBPOVPLWWJPN-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H11NO3/c1-3-7-15-11-9(8-12-13)5-4-6-10(11)14-2/h1,4-6,8,13H,7H2,2H3/b12-8+.
What are the key properties of (NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine has a molecular weight of 205.21 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 10104391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).