N-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide

C10H12N2O4 — CID 134315856

IUPACN-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide
SMILESCOc1cc(/C=N/NC=O)cc(O)c1OC
InChIInChI=1S/C10H12N2O4/c1-15-9-4-7(5-11-12-6-13)3-8(14)10(9)16-2/h3-6,14H,1-2H3,(H,12,13)/b11-5+
InChIKeyXDSZTIPLCDMQIN-VZUCSPMQSA-N
MW224.22 g/mol
LogP0.49
Rot. Bonds5

About N-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide

N-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide (PubChem CID 134315856) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide
PubChem CID134315856
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC NameN-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide
SMILESCOc1cc(/C=N/NC=O)cc(O)c1OC
InChIInChI=1S/C10H12N2O4/c1-15-9-4-7(5-11-12-6-13)3-8(14)10(9)16-2/h3-6,14H,1-2H3,(H,12,13)/b11-5+
InChIKeyXDSZTIPLCDMQIN-VZUCSPMQSA-N
XLogP0.49
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
1-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 92856854
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]hexanediamide
CID 6152520
5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086
[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 5398547
(E)-3-(3-hydroxy-4,5-dimethoxyphenyl)-2-methylprop-2-enoic acid
CID 170873128
N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide
CID 6113773
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide
CID 21214231
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]nonanediamide
CID 98542039
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135646994

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide?
The IUPAC name of N-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide (CID 134315856) is N-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide.
What is the SMILES notation for N-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide?
The canonical SMILES for N-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide is COc1cc(/C=N/NC=O)cc(O)c1OC.
What is the InChIKey of N-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide?
The InChIKey is XDSZTIPLCDMQIN-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-15-9-4-7(5-11-12-6-13)3-8(14)10(9)16-2/h3-6,14H,1-2H3,(H,12,13)/b11-5+.
What are the key properties of N-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide?
N-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide has a molecular weight of 224.22 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxy-4,5-dimethoxyphenyl)methylideneamino]formamide is sourced from PubChem (CID 134315856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).