N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide

C13H15N3O2 — CID 6266439

IUPACN-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCc1ccc(/C=N\NC(=O)Cc2cccn2C)o1
InChIInChI=1S/C13H15N3O2/c1-10-5-6-12(18-10)9-14-15-13(17)8-11-4-3-7-16(11)2/h3-7,9H,8H2,1-2H3,(H,15,17)/b14-9-
InChIKeyYGSMHMFYLQNKQL-ZROIWOOFSA-N
MW245.28 g/mol
LogP1.62
Rot. Bonds4

About N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide

N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide (PubChem CID 6266439) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
PubChem CID6266439
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
SMILESCc1ccc(/C=N\NC(=O)Cc2cccn2C)o1
InChIInChI=1S/C13H15N3O2/c1-10-5-6-12(18-10)9-14-15-13(17)8-11-4-3-7-16(11)2/h3-7,9H,8H2,1-2H3,(H,15,17)/b14-9-
InChIKeyYGSMHMFYLQNKQL-ZROIWOOFSA-N
XLogP1.62
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The IUPAC name of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide (CID 6266439) is N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide is Cc1ccc(/C=N\NC(=O)Cc2cccn2C)o1.
What is the InChIKey of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
The InChIKey is YGSMHMFYLQNKQL-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10-5-6-12(18-10)9-14-15-13(17)8-11-4-3-7-16(11)2/h3-7,9H,8H2,1-2H3,(H,15,17)/b14-9-.
What are the key properties of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide?
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide is sourced from PubChem (CID 6266439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).