N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-phenylacetamide

C14H15N3O — CID 6884905

IUPACN-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-phenylacetamide
SMILESCn1cccc1/C=N/NC(=O)Cc1ccccc1
InChIInChI=1S/C14H15N3O/c1-17-9-5-8-13(17)11-15-16-14(18)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,16,18)/b15-11+
InChIKeyUPVIHLDZSDAHTC-RVDMUPIBSA-N
MW241.29 g/mol
LogP1.72
Rot. Bonds4

About N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-phenylacetamide

N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-phenylacetamide (PubChem CID 6884905) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-phenylacetamide
PubChem CID6884905
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-phenylacetamide
SMILESCn1cccc1/C=N/NC(=O)Cc1ccccc1
InChIInChI=1S/C14H15N3O/c1-17-9-5-8-13(17)11-15-16-14(18)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,16,18)/b15-11+
InChIKeyUPVIHLDZSDAHTC-RVDMUPIBSA-N
XLogP1.72
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-phenylacetamide (CID 6884905) is N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-phenylacetamide is Cn1cccc1/C=N/NC(=O)Cc1ccccc1.
What is the InChIKey of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-phenylacetamide?
The InChIKey is UPVIHLDZSDAHTC-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17-9-5-8-13(17)11-15-16-14(18)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,16,18)/b15-11+.
What are the key properties of N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-phenylacetamide?
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-phenylacetamide has a molecular weight of 241.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 6884905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).