2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]furan-3-carboxamide

C11H11N3O2 — CID 135411544

IUPAC2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1ccc[nH]1
InChIInChI=1S/C11H11N3O2/c1-8-10(4-6-16-8)11(15)14-13-7-9-3-2-5-12-9/h2-7,12H,1H3,(H,14,15)/b13-7+
InChIKeyHUBOAJQJTAYPGC-NTUHNPAUSA-N
MW217.23 g/mol
LogP1.68
Rot. Bonds3

About 2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]furan-3-carboxamide

2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]furan-3-carboxamide (PubChem CID 135411544) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]furan-3-carboxamide
PubChem CID135411544
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1ccc[nH]1
InChIInChI=1S/C11H11N3O2/c1-8-10(4-6-16-8)11(15)14-13-7-9-3-2-5-12-9/h2-7,12H,1H3,(H,14,15)/b13-7+
InChIKeyHUBOAJQJTAYPGC-NTUHNPAUSA-N
XLogP1.68
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
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-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]furan-3-carboxamide (CID 135411544) is 2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]furan-3-carboxamide is Cc1occc1C(=O)N/N=C/c1ccc[nH]1.
What is the InChIKey of 2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]furan-3-carboxamide?
The InChIKey is HUBOAJQJTAYPGC-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-10(4-6-16-8)11(15)14-13-7-9-3-2-5-12-9/h2-7,12H,1H3,(H,14,15)/b13-7+.
What are the key properties of 2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]furan-3-carboxamide?
2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]furan-3-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]furan-3-carboxamide is sourced from PubChem (CID 135411544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).