1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide

C12H11NO3 — CID 11183543

IUPAC1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide
SMILESCOc1ccc(/[N+]([O-])=C/c2ccco2)cc1
InChIInChI=1S/C12H11NO3/c1-15-11-6-4-10(5-7-11)13(14)9-12-3-2-8-16-12/h2-9H,1H3/b13-9-
InChIKeyALZQDLRFHCXPPQ-LCYFTJDESA-N
MW217.22 g/mol
LogP2.55
Rot. Bonds3

About 1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide

1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide (PubChem CID 11183543) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide
PubChem CID11183543
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide
SMILESCOc1ccc(/[N+]([O-])=C/c2ccco2)cc1
InChIInChI=1S/C12H11NO3/c1-15-11-6-4-10(5-7-11)13(14)9-12-3-2-8-16-12/h2-9H,1H3/b13-9-
InChIKeyALZQDLRFHCXPPQ-LCYFTJDESA-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'}

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Related Compounds

N-(Furfurylidene)-P-anisidine
CID 778756
Aniline, N-(5-nitrofurfurylidene)-
CID 9077
N-Furfurylidene-M-toluidine
CID 5046711
4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline
CID 781698
N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide
CID 886509
(Z)-2-methyl-N-((5-methylfuran-2-yl)methylene)aniline oxide
CID 5890581
4-((1E)-2-(2-furyl)-1-azavinyl)phenol
CID 674723
p-Phenylenediamine, N,N'-difurfurylidene-
CID 99740
1-(furan-2-yl)-N-phenylmethanimine oxide
CID 1585019
1-(furan-3-yl)-N-(4-methoxyphenyl)methanimine oxide
CID 42628304
N-furfurylidene-p-toluidine
CID 899953
Benzenamine, N-(2-furanylmethylene)-2-methoxy-
CID 11390044

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide?
The IUPAC name of 1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide (CID 11183543) is 1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide.
What is the SMILES notation for 1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide?
The canonical SMILES for 1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide is COc1ccc(/[N+]([O-])=C/c2ccco2)cc1.
What is the InChIKey of 1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide?
The InChIKey is ALZQDLRFHCXPPQ-LCYFTJDESA-N. The full InChI is InChI=1S/C12H11NO3/c1-15-11-6-4-10(5-7-11)13(14)9-12-3-2-8-16-12/h2-9H,1H3/b13-9-.
What are the key properties of 1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide?
1-(furan-2-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-2-yl)-N-(4-methoxyphenyl)methanimine oxide is sourced from PubChem (CID 11183543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).