N-(methyliminomethylidene)benzamide

C9H8N2O — CID 131864232

IUPACN-(methyliminomethylidene)benzamide
SMILESCN=C=NC(=O)c1ccccc1
InChIInChI=1S/C9H8N2O/c1-10-7-11-9(12)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyWIENKNRHHQYRMR-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.63
Rot. Bonds1

About N-(methyliminomethylidene)benzamide

N-(methyliminomethylidene)benzamide (PubChem CID 131864232) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is N-(methyliminomethylidene)benzamide.

Molecular Properties

Compound NameN-(methyliminomethylidene)benzamide
PubChem CID131864232
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC NameN-(methyliminomethylidene)benzamide
SMILESCN=C=NC(=O)c1ccccc1
InChIInChI=1S/C9H8N2O/c1-10-7-11-9(12)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyWIENKNRHHQYRMR-UHFFFAOYSA-N
XLogP1.63
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

benzoyl isothiocyanate;ethane
CID 90887579
benzoyl isocyanate;thiourea
CID 162243838
benzoyl isothiocyanate;dichloromethane
CID 159613659
diphenylmethanone;ethane
CID 158014879
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
CID 131851272
CID 131851272
ethane;propane;N-propan-2-ylidenebenzamide
CID 91020892
N-(dimethylaminomethylidene)benzamide;ethane
CID 90754594
ethane;1-phenylethanone;propan-2-one
CID 91456675
ethane;benzoate
CID 161103305
ethane;benzoate
CID 90830280
benzoic acid;ethane;ethene
CID 143334069

Frequently Asked Questions

What is the IUPAC name of N-(methyliminomethylidene)benzamide?
The IUPAC name of N-(methyliminomethylidene)benzamide (CID 131864232) is N-(methyliminomethylidene)benzamide.
What is the SMILES notation for N-(methyliminomethylidene)benzamide?
The canonical SMILES for N-(methyliminomethylidene)benzamide is CN=C=NC(=O)c1ccccc1.
What is the InChIKey of N-(methyliminomethylidene)benzamide?
The InChIKey is WIENKNRHHQYRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-10-7-11-9(12)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of N-(methyliminomethylidene)benzamide?
N-(methyliminomethylidene)benzamide has a molecular weight of 160.18 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyliminomethylidene)benzamide is sourced from PubChem (CID 131864232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).