1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide

C12H11NO3 — CID 42628304

IUPAC1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide
SMILESCOc1ccc(/[N+]([O-])=C/c2ccoc2)cc1
InChIInChI=1S/C12H11NO3/c1-15-12-4-2-11(3-5-12)13(14)8-10-6-7-16-9-10/h2-9H,1H3/b13-8-
InChIKeyURXABUOQRGOWBZ-JYRVWZFOSA-N
MW217.22 g/mol
LogP2.55
Rot. Bonds3

About 1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide

1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide (PubChem CID 42628304) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide.

Molecular Properties

Compound Name1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide
PubChem CID42628304
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide
SMILESCOc1ccc(/[N+]([O-])=C/c2ccoc2)cc1
InChIInChI=1S/C12H11NO3/c1-15-12-4-2-11(3-5-12)13(14)8-10-6-7-16-9-10/h2-9H,1H3/b13-8-
InChIKeyURXABUOQRGOWBZ-JYRVWZFOSA-N
XLogP2.55
TPSA48.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide?
The IUPAC name of 1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide (CID 42628304) is 1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide.
What is the SMILES notation for 1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide?
The canonical SMILES for 1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide is COc1ccc(/[N+]([O-])=C/c2ccoc2)cc1.
What is the InChIKey of 1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide?
The InChIKey is URXABUOQRGOWBZ-JYRVWZFOSA-N. The full InChI is InChI=1S/C12H11NO3/c1-15-12-4-2-11(3-5-12)13(14)8-10-6-7-16-9-10/h2-9H,1H3/b13-8-.
What are the key properties of 1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide?
1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide has a molecular weight of 217.22 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide is sourced from PubChem (CID 42628304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).