N-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide

C14H15N3O — CID 176944127

IUPACN-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide
SMILES[H]/N=C(\C(=O)Nn1c(C)ccc1C)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-10-8-9-11(2)17(10)16-14(18)13(15)12-6-4-3-5-7-12/h3-9,15H,1-2H3,(H,16,18)/b15-13-
InChIKeySQPGJSIUTRTZCJ-SQFISAMPSA-N
MW241.29 g/mol
LogP2.24
Rot. Bonds3

About N-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide

N-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide (PubChem CID 176944127) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide
PubChem CID176944127
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide
SMILES[H]/N=C(\C(=O)Nn1c(C)ccc1C)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-10-8-9-11(2)17(10)16-14(18)13(15)12-6-4-3-5-7-12/h3-9,15H,1-2H3,(H,16,18)/b15-13-
InChIKeySQPGJSIUTRTZCJ-SQFISAMPSA-N
XLogP2.24
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-imino-2-phenyl-N-propylacetamide
CID 59888029
2-imino-2-phenylacetamide
CID 18431878
2-(benzenecarboximidoyl)-3-hydroxy-3-phenylprop-2-enoic acid
CID 151168806
3-(benzenecarboximidoyl)-4-hydroxybut-3-en-2-one
CID 154405896
(E)-2-(benzenecarboximidoyl)-3-methoxyprop-2-enoic acid
CID 178137992
[(Z)-(2-imino-1,2-diphenylethylidene)amino] benzoate
CID 89150925
(3E)-4-imino-3-[(4-methylphenyl)hydrazinylidene]-4-phenylbutan-2-one
CID 11357944
3-imino-2,3-diphenylprop-1-en-1-one
CID 11447363
ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine
CID 144506172
5-[(2,5-dimethylpyrrol-1-yl)amino]-3-methyl-5-oxopentanoic acid
CID 79089982
3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 78913286
2-bromo-N-(2,5-dimethylpyrrol-1-yl)-3-methylbutanamide
CID 79101127

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide (CID 176944127) is N-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide is [H]/N=C(\C(=O)Nn1c(C)ccc1C)c1ccccc1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide?
The InChIKey is SQPGJSIUTRTZCJ-SQFISAMPSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-8-9-11(2)17(10)16-14(18)13(15)12-6-4-3-5-7-12/h3-9,15H,1-2H3,(H,16,18)/b15-13-.
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide?
N-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide has a molecular weight of 241.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-2-imino-2-phenylacetamide is sourced from PubChem (CID 176944127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).