1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide

C11H18N2O3 — CID 5459669

IUPAC1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide
SMILESCOCCNC(=O)C1(C)C=CCN1C(C)=O
InChIInChI=1S/C11H18N2O3/c1-9(14)13-7-4-5-11(13,2)10(15)12-6-8-16-3/h4-5H,6-8H2,1-3H3,(H,12,15)
InChIKeyKAXMEWCQKFVLDV-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.07
Rot. Bonds4

About 1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide

1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide (PubChem CID 5459669) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide
PubChem CID5459669
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide
SMILESCOCCNC(=O)C1(C)C=CCN1C(C)=O
InChIInChI=1S/C11H18N2O3/c1-9(14)13-7-4-5-11(13,2)10(15)12-6-8-16-3/h4-5H,6-8H2,1-3H3,(H,12,15)
InChIKeyKAXMEWCQKFVLDV-UHFFFAOYSA-N
XLogP-0.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide?
The IUPAC name of 1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide (CID 5459669) is 1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide is COCCNC(=O)C1(C)C=CCN1C(C)=O.
What is the InChIKey of 1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide?
The InChIKey is KAXMEWCQKFVLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-9(14)13-7-4-5-11(13,2)10(15)12-6-8-16-3/h4-5H,6-8H2,1-3H3,(H,12,15).
What are the key properties of 1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide?
1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 5459669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).