2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide

C19H18N4O — CID 146160134

IUPAC2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide
SMILESNN=CNC(=O)Cn1c(-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C19H18N4O/c20-22-14-21-19(24)13-23-17(15-7-3-1-4-8-15)11-12-18(23)16-9-5-2-6-10-16/h1-12,14H,13,20H2,(H,21,22,24)
InChIKeyRHJJSXCNIPTYQH-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.84
Rot. Bonds5

About 2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide

2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide (PubChem CID 146160134) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide.

Molecular Properties

Compound Name2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide
PubChem CID146160134
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide
SMILESNN=CNC(=O)Cn1c(-c2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C19H18N4O/c20-22-14-21-19(24)13-23-17(15-7-3-1-4-8-15)11-12-18(23)16-9-5-2-6-10-16/h1-12,14H,13,20H2,(H,21,22,24)
InChIKeyRHJJSXCNIPTYQH-UHFFFAOYSA-N
XLogP2.84
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide?
The IUPAC name of 2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide (CID 146160134) is 2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide.
What is the SMILES notation for 2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide?
The canonical SMILES for 2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide is NN=CNC(=O)Cn1c(-c2ccccc2)ccc1-c1ccccc1.
What is the InChIKey of 2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide?
The InChIKey is RHJJSXCNIPTYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c20-22-14-21-19(24)13-23-17(15-7-3-1-4-8-15)11-12-18(23)16-9-5-2-6-10-16/h1-12,14H,13,20H2,(H,21,22,24).
What are the key properties of 2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide?
2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide has a molecular weight of 318.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diphenylpyrrol-1-yl)-N-methanehydrazonoylacetamide is sourced from PubChem (CID 146160134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).