N-methylidene-2-(2-methylphenyl)-2-oxoacetamide

C10H9NO2 — CID 135366239

IUPACN-methylidene-2-(2-methylphenyl)-2-oxoacetamide
SMILESC=NC(=O)C(=O)c1ccccc1C
InChIInChI=1S/C10H9NO2/c1-7-5-3-4-6-8(7)9(12)10(13)11-2/h3-6H,2H2,1H3
InChIKeyZVPBBOYLPSDTQR-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.40
Rot. Bonds2

About N-methylidene-2-(2-methylphenyl)-2-oxoacetamide

N-methylidene-2-(2-methylphenyl)-2-oxoacetamide (PubChem CID 135366239) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-methylidene-2-(2-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-methylidene-2-(2-methylphenyl)-2-oxoacetamide
PubChem CID135366239
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC NameN-methylidene-2-(2-methylphenyl)-2-oxoacetamide
SMILESC=NC(=O)C(=O)c1ccccc1C
InChIInChI=1S/C10H9NO2/c1-7-5-3-4-6-8(7)9(12)10(13)11-2/h3-6H,2H2,1H3
InChIKeyZVPBBOYLPSDTQR-UHFFFAOYSA-N
XLogP1.40
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-1-(2-methylphenyl)but-3-en-1-one
CID 163236678
3-methyl-2-methylimino-1-(2-methylphenyl)but-3-en-1-one
CID 155106801
1-(2-methylphenyl)butane-1,2-dione
CID 69199618
3,3-dimethyl-1-(2-methylphenyl)butane-1,2-dione
CID 14920001
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
isocyanic acid;2-methyl-1-(2-methylphenyl)prop-2-en-1-one
CID 175457296
ethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine
CID 154679304
ethane;1-(2-methylphenyl)ethanone
CID 91374073
iron;2-methylbenzoic acid
CID 174483135
bis(2-methylbenzoic acid);hydrate
CID 69398343
2-methylidene-1-(2-methylphenyl)pent-4-en-1-one
CID 160526359
chromium(3+);formaldehyde;tris(2-methylbenzoate)
CID 19812099

Frequently Asked Questions

What is the IUPAC name of N-methylidene-2-(2-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-methylidene-2-(2-methylphenyl)-2-oxoacetamide (CID 135366239) is N-methylidene-2-(2-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-methylidene-2-(2-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-methylidene-2-(2-methylphenyl)-2-oxoacetamide is C=NC(=O)C(=O)c1ccccc1C.
What is the InChIKey of N-methylidene-2-(2-methylphenyl)-2-oxoacetamide?
The InChIKey is ZVPBBOYLPSDTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-7-5-3-4-6-8(7)9(12)10(13)11-2/h3-6H,2H2,1H3.
What are the key properties of N-methylidene-2-(2-methylphenyl)-2-oxoacetamide?
N-methylidene-2-(2-methylphenyl)-2-oxoacetamide has a molecular weight of 175.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-2-(2-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 135366239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).