2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline

C11H16N4O — CID 166130526

IUPAC2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline
SMILES[H]/N=C(C(\C)=N/NC)/c1cccc(N)c1OC
InChIInChI=1S/C11H16N4O/c1-7(15-14-2)10(13)8-5-4-6-9(12)11(8)16-3/h4-6,13-14H,12H2,1-3H3/b13-10+,15-7-
InChIKeyFLXQJXUZMINCDY-SFVBCHMGSA-N
MW220.28 g/mol
LogP1.24
Rot. Bonds4

About 2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline

2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline (PubChem CID 166130526) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline.

Molecular Properties

Compound Name2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline
PubChem CID166130526
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline
SMILES[H]/N=C(C(\C)=N/NC)/c1cccc(N)c1OC
InChIInChI=1S/C11H16N4O/c1-7(15-14-2)10(13)8-5-4-6-9(12)11(8)16-3/h4-6,13-14H,12H2,1-3H3/b13-10+,15-7-
InChIKeyFLXQJXUZMINCDY-SFVBCHMGSA-N
XLogP1.24
TPSA83.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline?
The IUPAC name of 2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline (CID 166130526) is 2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline.
What is the SMILES notation for 2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline?
The canonical SMILES for 2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline is [H]/N=C(C(\C)=N/NC)/c1cccc(N)c1OC.
What is the InChIKey of 2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline?
The InChIKey is FLXQJXUZMINCDY-SFVBCHMGSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7(15-14-2)10(13)8-5-4-6-9(12)11(8)16-3/h4-6,13-14H,12H2,1-3H3/b13-10+,15-7-.
What are the key properties of 2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline?
2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline has a molecular weight of 220.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline is sourced from PubChem (CID 166130526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).