N-(benzylideneamino)-2-methyliminopropanamide

C11H13N3O — CID 123683889

IUPACN-(benzylideneamino)-2-methyliminopropanamide
SMILESC/N=C(\C)C(=O)NN=Cc1ccccc1
InChIInChI=1S/C11H13N3O/c1-9(12-2)11(15)14-13-8-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15)/b12-9+,13-8?
InChIKeyVRJMDWHXJKZXOV-GAECQFIQSA-N
MW203.24 g/mol
LogP1.23
Rot. Bonds3

About N-(benzylideneamino)-2-methyliminopropanamide

N-(benzylideneamino)-2-methyliminopropanamide (PubChem CID 123683889) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(benzylideneamino)-2-methyliminopropanamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-methyliminopropanamide
PubChem CID123683889
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN-(benzylideneamino)-2-methyliminopropanamide
SMILESC/N=C(\C)C(=O)NN=Cc1ccccc1
InChIInChI=1S/C11H13N3O/c1-9(12-2)11(15)14-13-8-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15)/b12-9+,13-8?
InChIKeyVRJMDWHXJKZXOV-GAECQFIQSA-N
XLogP1.23
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-benzylideneamino]urea
CID 6861419
N-[(E)-benzylideneamino]butanamide
CID 6872028
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
N'-(benzylideneamino)-N-(3-methylphenyl)oxamide
CID 4143039
3-[(E)-benzylideneamino]-1,1-dimethylthiourea
CID 13297422
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769
N'-[(E)-benzylideneamino]-N-(4-cyanophenyl)oxamide
CID 19661465
N-[(E)-3-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 53305033
1-[(E)-benzylideneamino]-3-pyridin-4-ylurea
CID 10243365
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
[(E)-benzylideneamino]thiourea;ethane;ethane;tungsten
CID 172958420

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-methyliminopropanamide?
The IUPAC name of N-(benzylideneamino)-2-methyliminopropanamide (CID 123683889) is N-(benzylideneamino)-2-methyliminopropanamide.
What is the SMILES notation for N-(benzylideneamino)-2-methyliminopropanamide?
The canonical SMILES for N-(benzylideneamino)-2-methyliminopropanamide is C/N=C(\C)C(=O)NN=Cc1ccccc1.
What is the InChIKey of N-(benzylideneamino)-2-methyliminopropanamide?
The InChIKey is VRJMDWHXJKZXOV-GAECQFIQSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9(12-2)11(15)14-13-8-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,15)/b12-9+,13-8?.
What are the key properties of N-(benzylideneamino)-2-methyliminopropanamide?
N-(benzylideneamino)-2-methyliminopropanamide has a molecular weight of 203.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-methyliminopropanamide is sourced from PubChem (CID 123683889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).