N-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide

C9H12N2O3 — CID 141078284

IUPACN-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide
SMILESC=COCCONC(=O)c1ccc[nH]1
InChIInChI=1S/C9H12N2O3/c1-2-13-6-7-14-11-9(12)8-4-3-5-10-8/h2-5,10H,1,6-7H2,(H,11,12)
InChIKeyZIVDMENXFJRAPP-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.84
Rot. Bonds6

About N-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide

N-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide (PubChem CID 141078284) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide
PubChem CID141078284
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide
SMILESC=COCCONC(=O)c1ccc[nH]1
InChIInChI=1S/C9H12N2O3/c1-2-13-6-7-14-11-9(12)8-4-3-5-10-8/h2-5,10H,1,6-7H2,(H,11,12)
InChIKeyZIVDMENXFJRAPP-UHFFFAOYSA-N
XLogP0.84
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide (CID 141078284) is N-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide is C=COCCONC(=O)c1ccc[nH]1.
What is the InChIKey of N-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide?
The InChIKey is ZIVDMENXFJRAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-13-6-7-14-11-9(12)8-4-3-5-10-8/h2-5,10H,1,6-7H2,(H,11,12).
What are the key properties of N-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide?
N-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide has a molecular weight of 196.21 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenoxyethoxy)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 141078284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).