N-[(E)-(4-ethylphenyl)methylideneamino]formamide

C10H12N2O — CID 6903320

IUPACN-[(E)-(4-ethylphenyl)methylideneamino]formamide
SMILESCCc1ccc(/C=N/NC=O)cc1
InChIInChI=1S/C10H12N2O/c1-2-9-3-5-10(6-4-9)7-11-12-8-13/h3-8H,2H2,1H3,(H,12,13)/b11-7+
InChIKeyJIGIBUFPJVTONU-YRNVUSSQSA-N
MW176.22 g/mol
LogP1.33
Rot. Bonds4

About N-[(E)-(4-ethylphenyl)methylideneamino]formamide

N-[(E)-(4-ethylphenyl)methylideneamino]formamide (PubChem CID 6903320) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-[(E)-(4-ethylphenyl)methylideneamino]formamide.

Molecular Properties

Compound NameN-[(E)-(4-ethylphenyl)methylideneamino]formamide
PubChem CID6903320
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-[(E)-(4-ethylphenyl)methylideneamino]formamide
SMILESCCc1ccc(/C=N/NC=O)cc1
InChIInChI=1S/C10H12N2O/c1-2-9-3-5-10(6-4-9)7-11-12-8-13/h3-8H,2H2,1H3,(H,12,13)/b11-7+
InChIKeyJIGIBUFPJVTONU-YRNVUSSQSA-N
XLogP1.33
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
CID 3314148
2-amino-3-[4-[(E)-(formylhydrazinylidene)methyl]phenyl]propanoic acid
CID 59658380
4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 172917579
N-ethyl-N'-[(Z)-(4-ethylphenyl)methylideneamino]oxamide
CID 39388462
N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 4153256
[(4-ethylphenyl)methylideneamino]thiourea
CID 724608
1-[(E)-(4-ethylphenyl)methylideneamino]-3-methylthiourea
CID 7575221
N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368486
N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-propan-2-yloxamide
CID 40538841
N-[(4-ethylphenyl)methylideneamino]heptanamide
CID 4107938
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethylaniline
CID 110505055

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]formamide?
The IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]formamide (CID 6903320) is N-[(E)-(4-ethylphenyl)methylideneamino]formamide.
What is the SMILES notation for N-[(E)-(4-ethylphenyl)methylideneamino]formamide?
The canonical SMILES for N-[(E)-(4-ethylphenyl)methylideneamino]formamide is CCc1ccc(/C=N/NC=O)cc1.
What is the InChIKey of N-[(E)-(4-ethylphenyl)methylideneamino]formamide?
The InChIKey is JIGIBUFPJVTONU-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-9-3-5-10(6-4-9)7-11-12-8-13/h3-8H,2H2,1H3,(H,12,13)/b11-7+.
What are the key properties of N-[(E)-(4-ethylphenyl)methylideneamino]formamide?
N-[(E)-(4-ethylphenyl)methylideneamino]formamide has a molecular weight of 176.22 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethylphenyl)methylideneamino]formamide is sourced from PubChem (CID 6903320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).