N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide

C11H14N2O3 — CID 54847117

IUPACN'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide
SMILESC=CCOc1ccc(/C(N)=N\O)cc1OC
InChIInChI=1S/C11H14N2O3/c1-3-6-16-9-5-4-8(11(12)13-14)7-10(9)15-2/h3-5,7,14H,1,6H2,2H3,(H2,12,13)
InChIKeyOMLXAIWNFBDEKH-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.35
Rot. Bonds5

About N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide

N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide (PubChem CID 54847117) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide
PubChem CID54847117
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide
SMILESC=CCOc1ccc(/C(N)=N\O)cc1OC
InChIInChI=1S/C11H14N2O3/c1-3-6-16-9-5-4-8(11(12)13-14)7-10(9)15-2/h3-5,7,14H,1,6H2,2H3,(H2,12,13)
InChIKeyOMLXAIWNFBDEKH-UHFFFAOYSA-N
XLogP1.35
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782
4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 74312872
4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 61058058
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 18123440
N'-hydroxy-4-prop-2-enoxybenzenecarboximidamide
CID 54847256
N'-hydroxy-2-methoxy-4-prop-2-enoxybenzenecarboximidamide
CID 59202029
(Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine
CID 89166660
N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646207
N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 76975002
N'-hydroxy-3-methoxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 24706507

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide (CID 54847117) is N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide is C=CCOc1ccc(/C(N)=N\O)cc1OC.
What is the InChIKey of N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide?
The InChIKey is OMLXAIWNFBDEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-3-6-16-9-5-4-8(11(12)13-14)7-10(9)15-2/h3-5,7,14H,1,6H2,2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide?
N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide has a molecular weight of 222.24 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide is sourced from PubChem (CID 54847117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).