2-(1-methylpyrrol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide

C18H17N3O — CID 6884007

IUPAC2-(1-methylpyrrol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
SMILESCn1cccc1CC(=O)N/N=C/c1cccc2ccccc12
InChIInChI=1S/C18H17N3O/c1-21-11-5-9-16(21)12-18(22)20-19-13-15-8-4-7-14-6-2-3-10-17(14)15/h2-11,13H,12H2,1H3,(H,20,22)/b19-13+
InChIKeyNSGQVIVECWCUAU-CPNJWEJPSA-N
MW291.35 g/mol
LogP2.87
Rot. Bonds4

About 2-(1-methylpyrrol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide

2-(1-methylpyrrol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide (PubChem CID 6884007) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
PubChem CID6884007
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-(1-methylpyrrol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
SMILESCn1cccc1CC(=O)N/N=C/c1cccc2ccccc12
InChIInChI=1S/C18H17N3O/c1-21-11-5-9-16(21)12-18(22)20-19-13-15-8-4-7-14-6-2-3-10-17(14)15/h2-11,13H,12H2,1H3,(H,20,22)/b19-13+
InChIKeyNSGQVIVECWCUAU-CPNJWEJPSA-N
XLogP2.87
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide (CID 6884007) is 2-(1-methylpyrrol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide is Cn1cccc1CC(=O)N/N=C/c1cccc2ccccc12.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide?
The InChIKey is NSGQVIVECWCUAU-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H17N3O/c1-21-11-5-9-16(21)12-18(22)20-19-13-15-8-4-7-14-6-2-3-10-17(14)15/h2-11,13H,12H2,1H3,(H,20,22)/b19-13+.
What are the key properties of 2-(1-methylpyrrol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide?
2-(1-methylpyrrol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide is sourced from PubChem (CID 6884007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).