N-(dimethylaminomethylidene)benzamide

C10H12N2O — CID 4309686

IUPACN-(dimethylaminomethylidene)benzamide
SMILESCN(C)/C=N/C(=O)c1ccccc1
InChIInChI=1S/C10H12N2O/c1-12(2)8-11-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3/b11-8+
InChIKeyDKWUEAZDXGFDFD-DHZHZOJOSA-N
MW176.22 g/mol
LogP1.42
Rot. Bonds2

About N-(dimethylaminomethylidene)benzamide

N-(dimethylaminomethylidene)benzamide (PubChem CID 4309686) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)benzamide.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)benzamide
PubChem CID4309686
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-(dimethylaminomethylidene)benzamide
SMILESCN(C)/C=N/C(=O)c1ccccc1
InChIInChI=1S/C10H12N2O/c1-12(2)8-11-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3/b11-8+
InChIKeyDKWUEAZDXGFDFD-DHZHZOJOSA-N
XLogP1.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylaminomethylidene)benzamide?
The IUPAC name of N-(dimethylaminomethylidene)benzamide (CID 4309686) is N-(dimethylaminomethylidene)benzamide.
What is the SMILES notation for N-(dimethylaminomethylidene)benzamide?
The canonical SMILES for N-(dimethylaminomethylidene)benzamide is CN(C)/C=N/C(=O)c1ccccc1.
What is the InChIKey of N-(dimethylaminomethylidene)benzamide?
The InChIKey is DKWUEAZDXGFDFD-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12(2)8-11-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3/b11-8+.
What are the key properties of N-(dimethylaminomethylidene)benzamide?
N-(dimethylaminomethylidene)benzamide has a molecular weight of 176.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)benzamide is sourced from PubChem (CID 4309686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).