N-[amino-(2-methylphenyl)methylidene]acetamide

C10H12N2O — CID 153172405

IUPACN-[amino-(2-methylphenyl)methylidene]acetamide
SMILESCC(=O)/N=C(\N)c1ccccc1C
InChIInChI=1S/C10H12N2O/c1-7-5-3-4-6-9(7)10(11)12-8(2)13/h3-6H,1-2H3,(H2,11,12,13)
InChIKeyJLQJWWNDQAGEJA-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.25
Rot. Bonds1

About N-[amino-(2-methylphenyl)methylidene]acetamide

N-[amino-(2-methylphenyl)methylidene]acetamide (PubChem CID 153172405) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-[amino-(2-methylphenyl)methylidene]acetamide.

Molecular Properties

Compound NameN-[amino-(2-methylphenyl)methylidene]acetamide
PubChem CID153172405
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-[amino-(2-methylphenyl)methylidene]acetamide
SMILESCC(=O)/N=C(\N)c1ccccc1C
InChIInChI=1S/C10H12N2O/c1-7-5-3-4-6-9(7)10(11)12-8(2)13/h3-6H,1-2H3,(H2,11,12,13)
InChIKeyJLQJWWNDQAGEJA-UHFFFAOYSA-N
XLogP1.25
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
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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Related Compounds

N'-[(Z)-[amino-(2-methylphenyl)methylidene]amino]-2-methylbenzenecarboximidamide
CID 145320912
N'-(4-acetylphenyl)-2-methylbenzenecarboximidamide
CID 102311054
2-methylbenzamide;molecular hydrogen
CID 177161283
ethane;1-(2-methylphenyl)ethanone
CID 91374073
[(Z)-1-(2-methylphenyl)ethylideneamino] acetate
CID 118122967
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
(Z)-1-(2-methylphenyl)prop-1-en-1-amine
CID 126678655
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
2-(2-methylphenyl)prop-2-enamide
CID 23202678
(Z)-4-(2-methylphenyl)pent-3-en-2-one
CID 67605542
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(4-methylphenyl) N-[amino-(2-methylphenyl)methylidene]carbamodithioate
CID 159366844

Frequently Asked Questions

What is the IUPAC name of N-[amino-(2-methylphenyl)methylidene]acetamide?
The IUPAC name of N-[amino-(2-methylphenyl)methylidene]acetamide (CID 153172405) is N-[amino-(2-methylphenyl)methylidene]acetamide.
What is the SMILES notation for N-[amino-(2-methylphenyl)methylidene]acetamide?
The canonical SMILES for N-[amino-(2-methylphenyl)methylidene]acetamide is CC(=O)/N=C(\N)c1ccccc1C.
What is the InChIKey of N-[amino-(2-methylphenyl)methylidene]acetamide?
The InChIKey is JLQJWWNDQAGEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-5-3-4-6-9(7)10(11)12-8(2)13/h3-6H,1-2H3,(H2,11,12,13).
What are the key properties of N-[amino-(2-methylphenyl)methylidene]acetamide?
N-[amino-(2-methylphenyl)methylidene]acetamide has a molecular weight of 176.22 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(2-methylphenyl)methylidene]acetamide is sourced from PubChem (CID 153172405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).